2-(2-chloranyl-6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(2-chloranyl-6-oxidanylidene-11H-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(2-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(2-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylammonium chloride IUPAC Name: 2-(2-chloro-6-oxo-11H-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(2-chloro-6-keto-11H-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride Formula: C17H19Cl2N3O MolecularWeight: 352.25826

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C1=O.[Cl-]

Isomeric SMILES

C[NH+](C)CCN1C2=C(C=C(C=C2)Cl)NC3=CC=CC=C3C1=O.[Cl-]

InChI

InChI=1S/C17H18ClN3O.ClH/c1-20(2)9-10-21-16-8-7-12(18)11-15(16)19-14-6-4-3-5-13(14)17(21)22;/h3-8,11,19H,9-10H2,1-2H3;1H