5-ethenyl-2-methyl-1-oxidanidyl-4-(sulfanylmethyl)pyridin-1-ium-3-ol hydrochloride

Systemtic Name: 5-ethenyl-2-methyl-1-oxidanidyl-4-(sulfanylmethyl)pyridin-1-ium-3-ol hydrochloride Openeye Name: 2-methyl-1-oxido-4-(sulfanylmethyl)-5-vinyl-pyridin-1-ium-3-ol hydrochloride CAS Name: 5-ethenyl-4-(mercaptomethyl)-2-methyl-1-oxido-3-pyridin-1-iumol hydrochloride IUPAC Name: 5-ethenyl-2-methyl-1-oxido-4-(sulfanylmethyl)pyridin-1-ium-3-ol hydrochloride Traditional Name: 4-(mercaptomethyl)-2-methyl-1-oxido-5-vinyl-pyridin-1-ium-3-ol hydrochloride Formula: C9H12ClNO2S MolecularWeight: 233.71508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1O)CS)C=C)[O-].Cl

Isomeric SMILES

CC1=[N+](C=C(C(=C1O)CS)C=C)[O-].Cl

InChI

InChI=1S/C9H11NO2S.ClH/c1-3-7-4-10(12)6(2)9(11)8(7)5-13;/h3-4,11,13H,1,5H2,2H3;1H