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

Systemtic Name: dimethyl-[2-(11-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride Openeye Name: dimethyl-[2-(11-methyl-6-oxo-benzo[b][1,4]benzodiazepin-5-yl)ethyl]ammonium chloride CAS Name: dimethyl-[2-(11-methyl-6-oxo-5-benzo[b][1,4]benzodiazepinyl)ethyl]ammonium chloride IUPAC Name: dimethyl-[2-(11-methyl-6-oxobenzo[b][1,4]benzodiazepin-5-yl)ethyl]azanium chloride Traditional Name: 2-(6-keto-11-methyl-benzo[b][1,4]benzodiazepin-5-yl)ethyl-dimethyl-ammonium chloride Formula: C18H22ClN3O MolecularWeight: 331.83978

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CC[NH+](C)C.[Cl-]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CC[NH+](C)C.[Cl-]

InChI

InChI=1S/C18H21N3O.ClH/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22;/h4-11H,12-13H2,1-3H3;1H