N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-2-[4-(phenylmethyl)-1,4-diazepan-4-ium-1-yl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-4-ium-1-yl)-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)CN3CCC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H30N4O2/c29-23(25-21-9-11-22(12-10-21)28-15-4-8-24(28)30)19-27-14-5-13-26(16-17-27)18-20-6-2-1-3-7-20/h1-3,6-7,9-12H,4-5,8,13-19H2,(H,25,29)/p+1