2-(3,11-dimethyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium chloride

Systemtic Name: 2-(3,11-dimethyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(3,11-dimethyl-6-oxo-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(3,11-dimethyl-6-oxo-5-benzo[b][1,4]benzodiazepinyl)ethyl-dimethylammonium chloride IUPAC Name: 2-(3,11-dimethyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(6-keto-3,11-dimethyl-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride Formula: C19H24ClN3O MolecularWeight: 345.86636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C3=CC=CC=C3C(=O)N2CC[NH+](C)C)C.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C3=CC=CC=C3C(=O)N2CC[NH+](C)C)C.[Cl-]

InChI

InChI=1S/C19H23N3O.ClH/c1-14-9-10-17-18(13-14)22(12-11-20(2)3)19(23)15-7-5-6-8-16(15)21(17)4;/h5-10,13H,11-12H2,1-4H3;1H