2-[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethyl-dimethyl-azanium chloride

Systemtic Name: 2-[2-[(2-chloranyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethyl-dimethyl-azanium chloride Openeye Name: 2-[2-(2-chloro-6-methyl-anilino)-2-oxo-ethyl]sulfanylethyl-dimethyl-ammonium chloride CAS Name: 2-[[2-(2-chloro-6-methylanilino)-2-oxoethyl]thio]ethyl-dimethylammonium chloride IUPAC Name: 2-[2-(2-chloro-6-methylanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride Traditional Name: 2-[[2-(2-chloro-6-methyl-anilino)-2-keto-ethyl]thio]ethyl-dimethyl-ammonium chloride Formula: C13H20Cl2N2OS MolecularWeight: 323.2817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19ClN2OS.ClH/c1-10-5-4-6-11(14)13(10)15-12(17)9-18-8-7-16(2)3;/h4-6H,7-9H2,1-3H3,(H,15,17);1H