2-(3-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(3-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethylammonium chloride IUPAC Name: 2-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(3-chloro-5-keto-6H-benzo[b][1]benzothiepin-6-yl)ethyl-dimethyl-ammonium chloride Formula: C18H19Cl2NOS MolecularWeight: 368.32056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C18H18ClNOS.ClH/c1-20(2)10-9-14-13-5-3-4-6-16(13)22-17-8-7-12(19)11-15(17)18(14)21;/h3-8,11,14H,9-10H2,1-2H3;1H