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

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

C[N+](C)(C)CCCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+](C)(C)CCCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C21H28N3O.HI/c1-24(2,3)17-9-14-22-15-16-23(18-10-5-4-6-11-18)20-13-8-7-12-19(20)21(22)25;/h4-8,10-13H,9,14-17H2,1-3H3;1H/q+1;/p-1