carboxymethyl-bis[2-[carboxymethyl-[(6-methyl-3-oxidanyl-pyridin-1-ium-2-yl)methyl]azaniumyl]ethyl]azanium

Systemtic Name: carboxymethyl-bis[2-[carboxymethyl-[(6-methyl-3-oxidanyl-pyridin-1-ium-2-yl)methyl]azaniumyl]ethyl]azanium Openeye Name: carboxymethyl-bis[2-[carboxymethyl-[(3-hydroxy-6-methyl-pyridin-1-ium-2-yl)methyl]ammonio]ethyl]ammonium CAS Name: carboxymethyl-bis[2-[carboxymethyl-[(3-hydroxy-6-methyl-2-pyridin-1-iumyl)methyl]ammonio]ethyl]ammonium IUPAC Name: carboxymethyl-bis[2-[carboxymethyl-[(3-hydroxy-6-methylpyridin-1-ium-2-yl)methyl]azaniumyl]ethyl]azanium Traditional Name: carboxymethyl-bis[2-[carboxymethyl-[(3-hydroxy-6-methyl-pyridin-1-ium-2-yl)methyl]ammonio]ethyl]ammonium Formula: C24H38N5O8+5 MolecularWeight: 524.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C(=C(C=C1)O)C[NH+](CC[NH+](CC[NH+](CC2=C(C=CC(=[NH+]2)C)O)CC(=O)O)CC(=O)O)CC(=O)O

Isomeric SMILES

CC1=[NH+]C(=C(C=C1)O)C[NH+](CC[NH+](CC[NH+](CC2=C(C=CC(=[NH+]2)C)O)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C24H33N5O8/c1-16-3-5-20(30)18(25-16)11-28(14-23(34)35)9-7-27(13-22(32)33)8-10-29(15-24(36)37)12-19-21(31)6-4-17(2)26-19/h3-6,30-31H,7-15H2,1-2H3,(H,32,33)(H,34,35)(H,36,37)/p+5