N-[2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide

Systemtic Name: N-[2-[4-(4-phenylphenyl)carbonylpiperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Openeye Name: N-[2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide CAS Name: N-[2-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazin-1-iumyl]ethyl]-4-pyridinecarboxamide IUPAC Name: N-[2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]ethyl]pyridine-4-carboxamide Traditional Name: N-[2-[4-(4-phenylbenzoyl)piperazin-1-ium-1-yl]ethyl]isonicotinamide Formula: C25H27N4O2+ MolecularWeight: 415.50748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C2=CC=NC=C2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O2/c30-24(22-10-12-26-13-11-22)27-14-15-28-16-18-29(19-17-28)25(31)23-8-6-21(7-9-23)20-4-2-1-3-5-20/h1-13H,14-19H2,(H,27,30)/p+1