[(E)-4-(5-chloranyl-2-methylsulfanyl-phenyl)-4-phenyl-but-3-enyl]-dimethyl-azanium chloride

Systemtic Name: [(E)-4-(5-chloranyl-2-methylsulfanyl-phenyl)-4-phenyl-but-3-enyl]-dimethyl-azanium chloride Openeye Name: [(E)-4-(5-chloro-2-methylsulfanyl-phenyl)-4-phenyl-but-3-enyl]-dimethyl-ammonium chloride CAS Name: [(E)-4-[5-chloro-2-(methylthio)phenyl]-4-phenylbut-3-enyl]-dimethylammonium chloride IUPAC Name: [(E)-4-(5-chloro-2-methylsulfanylphenyl)-4-phenylbut-3-enyl]-dimethylazanium chloride Traditional Name: [(E)-4-[5-chloro-2-(methylthio)phenyl]-4-phenyl-but-3-enyl]-dimethyl-ammonium chloride Formula: C19H23Cl2NS MolecularWeight: 368.36362

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC=C(C1=CC=CC=C1)C2=C(C=CC(=C2)Cl)SC.[Cl-]

Isomeric SMILES

C[NH+](C)CC/C=C(\C1=CC=CC=C1)/C2=C(C=CC(=C2)Cl)SC.[Cl-]

InChI

InChI=1S/C19H22ClNS.ClH/c1-21(2)13-7-10-17(15-8-5-4-6-9-15)18-14-16(20)11-12-19(18)22-3;/h4-6,8-12,14H,7,13H2,1-3H3;1H/b17-10+;