dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)sulfanylcarbonyl-azanium chloride

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)sulfanylcarbonyl-azanium chloride Openeye Name: (1-benzyl-2-hydroxy-1-methyl-2-oxo-ethyl)sulfanylcarbonyl-dimethyl-ammonium chloride CAS Name: [[(1-hydroxy-2-methyl-1-oxo-3-phenylpropan-2-yl)thio]-oxomethyl]-dimethylammonium chloride IUPAC Name: (1-hydroxy-2-methyl-1-oxo-3-phenylpropan-2-yl)sulfanylcarbonyl-dimethylazanium chloride Traditional Name: [(1-benzyl-2-hydroxy-2-keto-1-methyl-ethyl)thio]carbonyl-dimethyl-ammonium chloride Formula: C13H18ClNO3S MolecularWeight: 303.80492

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)(C(=O)O)SC(=O)[NH+](C)C.[Cl-]

Isomeric SMILES

CC(CC1=CC=CC=C1)(C(=O)O)SC(=O)[NH+](C)C.[Cl-]

InChI

InChI=1S/C13H17NO3S.ClH/c1-13(11(15)16,18-12(17)14(2)3)9-10-7-5-4-6-8-10;/h4-8H,9H2,1-3H3,(H,15,16);1H