diethyl-methyl-[2-(5-oxidanylidene-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium iodide

Systemtic Name: diethyl-methyl-[2-(5-oxidanylidene-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium iodide Openeye Name: diethyl-methyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]ammonium iodide CAS Name: diethyl-methyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]ammonium iodide IUPAC Name: diethyl-methyl-[2-(5-oxo-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]azanium iodide Traditional Name: diethyl-[2-(5-keto-1-phenyl-2,3-dihydro-1,4-benzodiazepin-4-yl)ethyl]-methyl-ammonium iodide Formula: C22H30IN3O MolecularWeight: 479.39757

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC[N+](C)(CC)CCN1CCN(C2=CC=CC=C2C1=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C22H30N3O.HI/c1-4-25(3,5-2)18-17-23-15-16-24(19-11-7-6-8-12-19)21-14-10-9-13-20(21)22(23)26;/h6-14H,4-5,15-18H2,1-3H3;1H/q+1;/p-1