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

Systemtic Name: 3-(3-chloranylbenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-azanium Openeye Name: 3-(3-chlorobenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-ammonium CAS Name: 3-(3-chloro-6-benzo[b][1]benzothiepinyl)propyl-dimethylammonium IUPAC Name: 3-(3-chlorobenzo[b][1]benzothiepin-6-yl)propyl-dimethylazanium Traditional Name: 3-(3-chlorobenzo[b][1]benzothiepin-6-yl)propyl-dimethyl-ammonium Formula: C19H21ClNS+ MolecularWeight: 330.89474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNS/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/p+1