1-(4-fluorophenyl)carbonyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]isonipecotamide Formula: C24H31FN5O2+ MolecularWeight: 440.533643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H30FN5O2/c1-28-12-14-29(15-13-28)22-7-2-18(16-26-22)17-27-23(31)19-8-10-30(11-9-19)24(32)20-3-5-21(25)6-4-20/h2-7,16,19H,8-15,17H2,1H3,(H,27,31)/p+1