methyl-(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: methyl-(1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-[2-hydroxy-2-oxo-1-(sulfanylmethyl)ethyl]-methyl-ammonium chloride CAS Name: (1-hydroxy-3-mercapto-1-oxopropan-2-yl)-methyl-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-(1-hydroxy-1-oxo-3-sulfanylpropan-2-yl)-methylazanium chloride Traditional Name: benzyl-[2-hydroxy-2-keto-1-(mercaptomethyl)ethyl]-methyl-ammonium chloride Formula: C11H16ClNO2S MolecularWeight: 261.76824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO2S.ClH/c1-12(10(8-15)11(13)14)7-9-5-3-2-4-6-9;/h2-6,10,15H,7-8H2,1H3,(H,13,14);1H