3-(3-chloranylbenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(3-chloranylbenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(3-chlorobenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(3-chloro-6-benzo[b][1]benzothiepinyl)propyl-dimethylammonium chloride IUPAC Name: 3-(3-chlorobenzo[b][1]benzothiepin-6-yl)propyl-dimethylazanium chloride Traditional Name: 3-(3-chlorobenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-ammonium chloride Formula: C19H21Cl2NS MolecularWeight: 366.34774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C31.[Cl-]

Isomeric SMILES

C[NH+](C)CCCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C31.[Cl-]

InChI

InChI=1S/C19H20ClNS.ClH/c1-21(2)11-5-6-14-12-15-13-16(20)9-10-18(15)22-19-8-4-3-7-17(14)19;/h3-4,7-10,12-13H,5-6,11H2,1-2H3;1H