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

Systemtic Name: 2-(3-chloranyl-11-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-azanium chloride Openeye Name: 2-(3-chloro-11-methyl-6-oxo-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride CAS Name: 2-(3-chloro-11-methyl-6-oxo-5-benzo[b][1,4]benzodiazepinyl)ethyl-dimethylammonium chloride IUPAC Name: 2-(3-chloro-11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethylazanium chloride Traditional Name: 2-(3-chloro-6-keto-11-methyl-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride Formula: C18H21Cl2N3O MolecularWeight: 366.28484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)N(C(=O)C3=CC=CC=C31)CC[NH+](C)C.[Cl-]

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)N(C(=O)C3=CC=CC=C31)CC[NH+](C)C.[Cl-]

InChI

InChI=1S/C18H20ClN3O.ClH/c1-20(2)10-11-22-17-12-13(19)8-9-16(17)21(3)15-7-5-4-6-14(15)18(22)23;/h4-9,12H,10-11H2,1-3H3;1H