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

Systemtic Name: 3-(3-chloranyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(3-chloro-5-oxo-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethylazanium chloride Traditional Name: 3-(3-chloro-5-keto-6H-benzo[b][1]benzothiepin-6-yl)propyl-dimethyl-ammonium chloride Formula: C19H21Cl2NOS MolecularWeight: 382.34714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

C[NH+](C)CCCC1C2=CC=CC=C2SC3=C(C1=O)C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C19H20ClNOS.ClH/c1-21(2)11-5-7-15-14-6-3-4-8-17(14)23-18-10-9-13(20)12-16(18)19(15)22;/h3-4,6,8-10,12,15H,5,7,11H2,1-2H3;1H