1-(cyclopentylmethyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate; chloride

Systemtic Name: 1-(cyclopentylmethyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate; chloride Openeye Name: ferrous; 1-(cyclopentylmethyl)pyridin-1-ium; 4-methylbenzenesulfonate; chloride CAS Name: 1-(cyclopentylmethyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate; chloride IUPAC Name: 1-(cyclopentylmethyl)pyridin-1-ium; iron(2+); 4-methylbenzenesulfonate; chloride Traditional Name: ferrous 1-(cyclopentylmethyl)pyridin-1-ium chloride tosylate Formula: C29H29ClFeN2O3S+2 MolecularWeight: 576.91516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)C[C]2[CH][CH][CH][CH]2.C1=CC=[N+](C=C1)C[C]2[CH][CH][CH][CH]2.[Cl-].[Fe+2]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)C[C]2[CH][CH][CH][CH]2.C1=CC=[N+](C=C1)C[C]2[CH][CH][CH][CH]2.[Cl-].[Fe+2]

InChI

InChI=1S/2C11H11N.C7H8O3S.ClH.Fe/c2*1-4-8-12(9-5-1)10-11-6-2-3-7-11;1-6-2-4-7(5-3-6)11(8,9)10;;/h2*1-9H,10H2;2-5H,1H3,(H,8,9,10);1H;/q2*+1;;;+2/p-2