2-(2-oxidanylidenepyrrolidin-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide

Systemtic Name: 2-(2-oxidanylidenepyrrolidin-1-yl)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]benzamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 2-(2-oxo-1-pyrrolidinyl)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-ketopyrrolidino)benzamide Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2/c33-27-11-6-16-32(27)26-10-5-4-9-25(26)28(34)29-23-12-14-24(15-13-23)31-19-17-30(18-20-31)21-22-7-2-1-3-8-22/h1-5,7-10,12-15H,6,11,16-21H2,(H,29,34)/p+1