[4-(hydroxymethyl)-6-methyl-5-sulfanyl-pyridin-1-ium-3-yl]methanol chloride

Systemtic Name: [4-(hydroxymethyl)-6-methyl-5-sulfanyl-pyridin-1-ium-3-yl]methanol chloride Openeye Name: [4-(hydroxymethyl)-6-methyl-5-sulfanyl-pyridin-1-ium-3-yl]methanol chloride CAS Name: [4-(hydroxymethyl)-5-mercapto-6-methyl-3-pyridin-1-iumyl]methanol chloride IUPAC Name: [4-(hydroxymethyl)-6-methyl-5-sulfanylpyridin-1-ium-3-yl]methanol chloride Traditional Name: (5-mercapto-6-methyl-4-methylol-pyridin-1-ium-3-yl)methanol chloride Formula: C8H12ClNO2S MolecularWeight: 221.70438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C=C(C(=C1S)CO)CO.[Cl-]

Isomeric SMILES

CC1=[NH+]C=C(C(=C1S)CO)CO.[Cl-]

InChI

InChI=1S/C8H11NO2S.ClH/c1-5-8(12)7(4-11)6(3-10)2-9-5;/h2,10-12H,3-4H2,1H3;1H