dimethyl-[3-[(4-methylphenyl)carbonylamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanium chloride

Systemtic Name: dimethyl-[3-[(4-methylphenyl)carbonylamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanium chloride Openeye Name: [4-hydroxy-3-[(4-methylbenzoyl)amino]-4-oxo-butyl]-dimethyl-sulfonium chloride CAS Name: [4-hydroxy-3-[[(4-methylphenyl)-oxomethyl]amino]-4-oxobutyl]-dimethylsulfonium chloride IUPAC Name: [4-hydroxy-3-[(4-methylbenzoyl)amino]-4-oxobutyl]-dimethylsulfanium chloride Traditional Name: [4-hydroxy-4-keto-3-(p-toluoylamino)butyl]-dimethyl-sulfonium chloride Formula: C14H20ClNO3S MolecularWeight: 317.8315

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC[S+](C)C)C(=O)O.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC[S+](C)C)C(=O)O.[Cl-]

InChI

InChI=1S/C14H19NO3S.ClH/c1-10-4-6-11(7-5-10)13(16)15-12(14(17)18)8-9-19(2)3;/h4-7,12H,8-9H2,1-3H3,(H-,15,16,17,18);1H