2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethyl-dimethyl-azanium chloride

Systemtic Name: 2-[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylethyl-dimethyl-azanium chloride Openeye Name: 2-[2-(2-chloroanilino)-2-oxo-ethyl]sulfanylethyl-dimethyl-ammonium chloride CAS Name: 2-[[2-(2-chloroanilino)-2-oxoethyl]thio]ethyl-dimethylammonium chloride IUPAC Name: 2-[2-(2-chloroanilino)-2-oxoethyl]sulfanylethyl-dimethylazanium chloride Traditional Name: 2-[[2-(2-chloroanilino)-2-keto-ethyl]thio]ethyl-dimethyl-ammonium chloride Formula: C12H18Cl2N2OS MolecularWeight: 309.25512

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCSCC(=O)NC1=CC=CC=C1Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCSCC(=O)NC1=CC=CC=C1Cl.[Cl-]

InChI

InChI=1S/C12H17ClN2OS.ClH/c1-15(2)7-8-17-9-12(16)14-11-6-4-3-5-10(11)13;/h3-6H,7-9H2,1-2H3,(H,14,16);1H