[azanyl(sulfanyl)methylidene]-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]azanium chloride

Systemtic Name: [azanyl(sulfanyl)methylidene]-[[4-(hydroxymethyl)-6-methyl-5-oxidanyl-pyridin-3-yl]methyl]azanium chloride Openeye Name: [amino(sulfanyl)methylene]-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridyl]methyl]ammonium chloride CAS Name: [amino(mercapto)methylidene]-[[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]methyl]ammonium chloride IUPAC Name: [amino(sulfanyl)methylidene]-[[5-hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methyl]azanium chloride Traditional Name: [amino(mercapto)methylene]-[(5-hydroxy-6-methyl-4-methylol-3-pyridyl)methyl]ammonium chloride Formula: C9H14ClN3O2S MolecularWeight: 263.74436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C[NH+]=C(N)S.[Cl-]

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C[NH+]=C(N)S.[Cl-]

InChI

InChI=1S/C9H13N3O2S.ClH/c1-5-8(14)7(4-13)6(2-11-5)3-12-9(10)15;/h2,13-14H,3-4H2,1H3,(H3,10,12,15);1H