[4-azanyl-3-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxidanylidene-butyl]-dimethyl-azanium chloride

Systemtic Name: [4-azanyl-3-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxidanylidene-butyl]-dimethyl-azanium chloride Openeye Name: [4-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxo-butyl]-dimethyl-ammonium chloride CAS Name: [4-amino-3-[2-[(4-chlorophenyl)thio]phenyl]-4-oxobutyl]-dimethylammonium chloride IUPAC Name: [4-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]-4-oxobutyl]-dimethylazanium chloride Traditional Name: [4-amino-3-[2-[(4-chlorophenyl)thio]phenyl]-4-keto-butyl]-dimethyl-ammonium chloride Formula: C18H22Cl2N2OS MolecularWeight: 385.35108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N.[Cl-]

Isomeric SMILES

C[NH+](C)CCC(C1=CC=CC=C1SC2=CC=C(C=C2)Cl)C(=O)N.[Cl-]

InChI

InChI=1S/C18H21ClN2OS.ClH/c1-21(2)12-11-16(18(20)22)15-5-3-4-6-17(15)23-14-9-7-13(19)8-10-14;/h3-10,16H,11-12H2,1-2H3,(H2,20,22);1H