2-(3-chloranylbenzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(3-chloranylbenzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(3-chloro-6-benzo[b][1]benzothiepinyl)ethyl-dimethylammonium chloride IUPAC Name: 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(3-chlorobenzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-ammonium chloride Formula: C18H19Cl2NS MolecularWeight: 352.32116

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C31.[Cl-]

Isomeric SMILES

C[NH+](C)CCC1=CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C31.[Cl-]

InChI

InChI=1S/C18H18ClNS.ClH/c1-20(2)10-9-13-11-14-12-15(19)7-8-17(14)21-18-6-4-3-5-16(13)18;/h3-8,11-12H,9-10H2,1-2H3;1H