iron(2+); 3-methyl-2-[[6-[5-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azaniumyl]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methylazaniumyl]butanoate; (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-[[6-[3-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azaniumyl]methyl]-3,6-dihydro-2H-pyridin-1-id-6-yl]piperidin-1-id-3-yl]methyl]azanium; (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-[[6-[5-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azaniumyl]methyl]piperidin-1-id-2-yl]piperidin-1-id

Systemtic Name: iron(2+); 3-methyl-2-[[6-[5-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azaniumyl]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methylazaniumyl]butanoate; (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-[[6-[3-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azaniumyl]methyl]-3,6-dihydro-2H-pyridin-1-id-6-yl]piperidin-1-id-3-yl]methyl]azanium; (3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)-[[6-[5-[[(3-methyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azaniumyl]methyl]piperidin-1-id-2-yl]piperidin-1-id Openeye Name: ferrous; 2-[[6-[5-[[(1-carboxy-2-methyl-propyl)ammonio]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methylammonio]-3-methyl-butanoate; (1-carboxy-2-methyl-propyl)-[[6-[3-[[(1-carboxy-2-methyl-propyl)ammonio]methyl]-3,6-dihydro-2H-pyridin-1-id-6-yl]piperidin-1-id-3-yl]methyl]ammonium; (1-carboxy-2-methyl-propyl)-[[6-[5-[[(1-carboxy-2-methyl-propyl)ammonio]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methyl]ammonium CAS Name: 2-[[6-[5-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)ammonio]methyl]-2-piperidin-1-idyl]-3-piperidin-1-idyl]methylammonio]-3-methylbutanoate; (1-hydroxy-3-methyl-1-oxobutan-2-yl)-[[6-[3-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)ammonio]methyl]-3,6-dihydro-2H-pyridin-1-id-6-yl]-3-piperidin-1-idyl]methyl]ammonium; (1-hydroxy-3-methyl-1-oxobutan-2-yl)-[[6-[5-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)ammonio]methyl]-2-piperidin-1-idyl]-3-piperidin-1-idyl]methyl]ammonium; iron(2+) IUPAC Name: 2-[[6-[5-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)azaniumyl]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methylazaniumyl]-3-methylbutanoate; (1-hydroxy-3-methyl-1-oxobutan-2-yl)-[[6-[3-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)azaniumyl]methyl]-3,6-dihydro-2H-pyridin-1-id-6-yl]piperidin-1-id-3-yl]methyl]azanium; (1-hydroxy-3-methyl-1-oxobutan-2-yl)-[[6-[5-[[(1-hydroxy-3-methyl-1-oxobutan-2-yl)azaniumyl]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methyl]azanium; iron(2+) Traditional Name: ferrous; 2-[[6-[5-[[(1-carboxy-2-methyl-propyl)ammonio]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methylammonio]-3-methyl-butyrate; (1-carboxy-2-methyl-propyl)-[[6-[3-[[(1-carboxy-2-methyl-propyl)ammonio]methyl]-3,6-dihydro-2H-pyridin-1-id-6-yl]piperidin-1-id-3-yl]methyl]ammonium; (1-carboxy-2-methyl-propyl)-[[6-[5-[[(1-carboxy-2-methyl-propyl)ammonio]methyl]piperidin-1-id-2-yl]piperidin-1-id-3-yl]methyl]ammonium Formula: C66H123FeN12O12+ MolecularWeight: 1332.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)[NH2+]CC1CCC([N-]C1)C2CCC(C[N-]2)C[NH2+]C(C(C)C)C(=O)O.CC(C)C(C(=O)O)[NH2+]CC1CCC([N-]C1)C2CCC(C[N-]2)C[NH2+]C(C(C)C)C(=O)[O-].CC(C)C(C(=O)O)[NH2+]CC1CCC([N-]C1)C2C=CC(C[N-]2)C[NH2+]C(C(C)C)C(=O)O.[Fe+2]

Isomeric SMILES

CC(C)C(C(=O)O)[NH2+]CC1CCC([N-]C1)C2CCC(C[N-]2)C[NH2+]C(C(C)C)C(=O)O.CC(C)C(C(=O)O)[NH2+]CC1CCC([N-]C1)C2CCC(C[N-]2)C[NH2+]C(C(C)C)C(=O)[O-].CC(C)C(C(=O)O)[NH2+]CC1CCC([N-]C1)C2C=CC(C[N-]2)C[NH2+]C(C(C)C)C(=O)O.[Fe+2]

InChI

InChI=1S/2C22H40N4O4.C22H38N4O4.Fe/c3*1-13(2)19(21(27)28)25-11-15-5-7-17(23-9-15)18-8-6-16(10-24-18)12-26-20(14(3)4)22(29)30;/h2*13-20,25-26H,5-12H2,1-4H3,(H,27,28)(H,29,30);5,7,13-20,25-26H,6,8-12H2,1-4H3,(H,27,28)(H,29,30);/q3*-2;+2/p+5