2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: N-[3-(2-ketopyrrolidino)phenyl]-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5O4+ MolecularWeight: 424.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c28-21(23-17-5-3-6-18(15-17)26-10-4-9-22(26)29)16-24-11-13-25(14-12-24)19-7-1-2-8-20(19)27(30)31/h1-3,5-8,15H,4,9-14,16H2,(H,23,28)/p+1