4-[[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(2-oxidanylidene-1H-pyridin-3-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(2-oxo-1H-pyridin-3-yl)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(2-oxo-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(2-keto-1H-pyridine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C18H19N4O2+ MolecularWeight: 323.36906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CNC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CNC3=O

InChI

InChI=1S/C18H18N4O2/c19-12-14-3-5-15(6-4-14)13-21-8-10-22(11-9-21)18(24)16-2-1-7-20-17(16)23/h1-7H,8-11,13H2,(H,20,23)/p+1