N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-[4-(2-oxo-1-pyrrolidinyl)phenyl]-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O2/c28-22(24-19-8-10-21(11-9-19)27-13-4-7-23(27)29)12-14-25-15-17-26(18-16-25)20-5-2-1-3-6-20/h1-3,5-6,8-11H,4,7,12-18H2,(H,24,28)/p+1