4-[[4-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(2-oxidanylidenepyrrolidin-1-yl)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[2-(2-oxo-1-pyrrolidinyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(2-ketopyrrolidino)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O2/c24-16-18-7-9-19(10-8-18)17-25-12-14-26(15-13-25)23(29)20-4-1-2-5-21(20)27-11-3-6-22(27)28/h1-2,4-5,7-10H,3,6,11-15,17H2/p+1