2-(2,3-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)sulfanylethanol

Systemtic Name: 2-(2,3-dimethyl-1-oxidanidyl-pyridin-1-ium-4-yl)sulfanylethanol Openeye Name: 2-(2,3-dimethyl-1-oxido-pyridin-1-ium-4-yl)sulfanylethanol CAS Name: 2-[(2,3-dimethyl-1-oxido-4-pyridin-1-iumyl)thio]ethanol IUPAC Name: 2-(2,3-dimethyl-1-oxidopyridin-1-ium-4-yl)sulfanylethanol Traditional Name: 2-[(2,3-dimethyl-1-oxido-pyridin-1-ium-4-yl)thio]ethanol Formula: C9H13NO2S MolecularWeight: 199.27002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C[N+](=C1C)[O-])SCCO

Isomeric SMILES

CC1=C(C=C[N+](=C1C)[O-])SCCO

InChI

InChI=1S/C9H13NO2S/c1-7-8(2)10(12)4-3-9(7)13-6-5-11/h3-4,11H,5-6H2,1-2H3