[2-(3-carboxyphenyl)sulfanylphenyl]methyl-dimethyl-azanium chloride

Systemtic Name: [2-(3-carboxyphenyl)sulfanylphenyl]methyl-dimethyl-azanium chloride Openeye Name: [2-(3-carboxyphenyl)sulfanylphenyl]methyl-dimethyl-ammonium chloride CAS Name: [2-[(3-carboxyphenyl)thio]phenyl]methyl-dimethylammonium chloride IUPAC Name: [2-(3-carboxyphenyl)sulfanylphenyl]methyl-dimethylazanium chloride Traditional Name: [2-[(3-carboxyphenyl)thio]benzyl]-dimethyl-ammonium chloride Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=CC=C1SC2=CC=CC(=C2)C(=O)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=CC=CC=C1SC2=CC=CC(=C2)C(=O)O.[Cl-]

InChI

InChI=1S/C16H17NO2S.ClH/c1-17(2)11-13-6-3-4-9-15(13)20-14-8-5-7-12(10-14)16(18)19;/h3-10H,11H2,1-2H3,(H,18,19);1H