(3-chloranyl-1-benzothiophen-2-yl)carbonyl-[3-(dimethylamino)propyl]-phenyl-azanium chloride

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)carbonyl-[3-(dimethylamino)propyl]-phenyl-azanium chloride Openeye Name: (3-chlorobenzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenyl-ammonium chloride CAS Name: [(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-[3-(dimethylamino)propyl]-phenylammonium chloride IUPAC Name: (3-chloro-1-benzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenylazanium chloride Traditional Name: (3-chlorobenzothiophene-2-carbonyl)-[3-(dimethylamino)propyl]-phenyl-ammonium chloride Formula: C20H22Cl2N2OS MolecularWeight: 409.37248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC[NH+](C1=CC=CC=C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl.[Cl-]

Isomeric SMILES

CN(C)CCC[NH+](C1=CC=CC=C1)C(=O)C2=C(C3=CC=CC=C3S2)Cl.[Cl-]

InChI

InChI=1S/C20H21ClN2OS.ClH/c1-22(2)13-8-14-23(15-9-4-3-5-10-15)20(24)19-18(21)16-11-6-7-12-17(16)25-19;/h3-7,9-12H,8,13-14H2,1-2H3;1H