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

Systemtic Name: diethyl-methyl-[2-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-11-yl)ethyl]azanium iodide Openeye Name: diethyl-methyl-[2-(5-methyl-6-oxo-benzo[b][1,4]benzodiazepin-11-yl)ethyl]ammonium iodide CAS Name: diethyl-methyl-[2-(5-methyl-6-oxo-11-benzo[b][1,4]benzodiazepinyl)ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[2-(5-methyl-6-oxobenzo[b][1,4]benzodiazepin-11-yl)ethyl]azanium iodide Traditional Name: diethyl-[2-(6-keto-5-methyl-benzo[b][1,4]benzodiazepin-11-yl)ethyl]-methyl-ammonium iodide Formula: C21H28IN3O MolecularWeight: 465.37099

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C.[I-]

InChI

InChI=1S/C21H28N3O.HI/c1-5-24(4,6-2)16-15-23-18-12-8-7-11-17(18)21(25)22(3)19-13-9-10-14-20(19)23;/h7-14H,5-6,15-16H2,1-4H3;1H/q+1;/p-1