N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-piperidine-1-carboxamide

Systemtic Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-piperidine-1-carboxamide Openeye Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidine-1-carboxamide CAS Name: 4-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidine-1-carboxamide Traditional Name: N-phenyl-4-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidine-1-carboxamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)N2CCN(CC2)C3=CC=CC=[NH+]3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c28-21(26-16-14-25(15-17-26)20-8-4-5-11-23-20)18-9-12-27(13-10-18)22(29)24-19-6-2-1-3-7-19/h1-8,11,18H,9-10,12-17H2,(H,24,29)/p+1