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

Systemtic Name: diethyl-methyl-[1-(5-methyl-6-oxidanylidene-benzo[b][1,4]benzodiazepin-11-yl)ethyl]azanium iodide Openeye Name: diethyl-methyl-[1-(5-methyl-6-oxo-benzo[b][1,4]benzodiazepin-11-yl)ethyl]ammonium iodide CAS Name: diethyl-methyl-[1-(5-methyl-6-oxo-11-benzo[b][1,4]benzodiazepinyl)ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[1-(5-methyl-6-oxobenzo[b][1,4]benzodiazepin-11-yl)ethyl]azanium iodide Traditional Name: diethyl-[1-(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)C(C)N1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C.[I-]

Isomeric SMILES

CC[N+](C)(CC)C(C)N1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)C.[I-]

InChI

InChI=1S/C21H28N3O.HI/c1-6-24(5,7-2)16(3)23-18-13-9-8-12-17(18)21(25)22(4)19-14-10-11-15-20(19)23;/h8-16H,6-7H2,1-5H3;1H/q+1;/p-1