1-(4-fluorophenyl)carbonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]isonipecotamide Formula: C26H33FN3O2+ MolecularWeight: 438.557523

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=CC=C2CNC(=O)C3CCN(CC3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O2/c27-24-10-8-21(9-11-24)26(32)30-16-12-20(13-17-30)25(31)28-18-22-6-2-3-7-23(22)19-29-14-4-1-5-15-29/h2-3,6-11,20H,1,4-5,12-19H2,(H,28,31)/p+1