4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide

Systemtic Name: 4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide Openeye Name: 4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide CAS Name: 4-[2-(1-methyl-1-pyrrolidin-1-iumyl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide IUPAC Name: 4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide Traditional Name: 4-[2-(1-methylpyrrolidin-1-ium-1-yl)ethyl]-1-phenyl-2,3-dihydro-1,4-benzodiazepin-5-one iodide Formula: C22H28IN3O MolecularWeight: 477.38169

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCN2CCN(C3=CC=CC=C3C2=O)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[N+]1(CCCC1)CCN2CCN(C3=CC=CC=C3C2=O)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C22H28N3O.HI/c1-25(16-7-8-17-25)18-15-23-13-14-24(19-9-3-2-4-10-19)21-12-6-5-11-20(21)22(23)26;/h2-6,9-12H,7-8,13-18H2,1H3;1H/q+1;/p-1