2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[4-[(4-cyanophenyl)methyl]-1-piperazin-1-iumyl]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[4-[(4-cyanophenyl)methyl]piperazin-1-ium-1-yl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[4-(4-cyanobenzyl)piperazin-1-ium-1-yl]-N-[4-(2-ketopyrrolidino)phenyl]acetamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H27N5O2/c25-16-19-3-5-20(6-4-19)17-27-12-14-28(15-13-27)18-23(30)26-21-7-9-22(10-8-21)29-11-1-2-24(29)31/h3-10H,1-2,11-15,17-18H2,(H,26,30)/p+1