trimethyl-[2-(5-oxidanylidene-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]azanium iodide

Systemtic Name: trimethyl-[2-(5-oxidanylidene-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]azanium iodide Openeye Name: trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]ammonium iodide CAS Name: trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]ammonium iodide IUPAC Name: trimethyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl]azanium iodide Traditional Name: 2-(5-keto-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)propyl-trimethyl-ammonium iodide Formula: C21H28IN3O MolecularWeight: 465.37099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+](C)(C)C)N1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C[N+](C)(C)C)N1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H28N3O.HI/c1-17(16-24(2,3)4)22-14-15-23(18-10-6-5-7-11-18)20-13-9-8-12-19(20)21(22)25;/h5-13,17H,14-16H2,1-4H3;1H/q+1;/p-1