ethanedioate; 4-(2-methylsulfanylethyl)pyridin-1-ium

Systemtic Name: ethanedioate; 4-(2-methylsulfanylethyl)pyridin-1-ium Openeye Name: 4-(2-methylsulfanylethyl)pyridin-1-ium; oxalate CAS Name: 4-[2-(methylthio)ethyl]pyridin-1-ium; oxalate IUPAC Name: 4-(2-methylsulfanylethyl)pyridin-1-ium; oxalate Traditional Name: 4-[2-(methylthio)ethyl]pyridin-1-ium; oxalate Formula: C18H24N2O4S2 MolecularWeight: 396.52416

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC1=CC=[NH+]C=C1.CSCCC1=CC=[NH+]C=C1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CSCCC1=CC=[NH+]C=C1.CSCCC1=CC=[NH+]C=C1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/2C8H11NS.C2H2O4/c2*1-10-7-4-8-2-5-9-6-3-8;3-1(4)2(5)6/h2*2-3,5-6H,4,7H2,1H3;(H,3,4)(H,5,6)