1-(4-fluorophenyl)carbonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide

Systemtic Name: 1-(4-fluorophenyl)carbonyl-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide Openeye Name: 1-(4-fluorobenzoyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)-oxomethyl]-N-[2-methyl-2-(1-piperidin-1-iumyl)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-fluorobenzoyl)-N-(2-methyl-2-piperidin-1-ium-1-ylpropyl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzoyl)-N-(2-methyl-2-piperidin-1-ium-1-yl-propyl)isonipecotamide Formula: C22H33FN3O2+ MolecularWeight: 390.514723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F)[NH+]3CCCCC3

Isomeric SMILES

CC(C)(CNC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)F)[NH+]3CCCCC3

InChI

InChI=1S/C22H32FN3O2/c1-22(2,26-12-4-3-5-13-26)16-24-20(27)17-10-14-25(15-11-17)21(28)18-6-8-19(23)9-7-18/h6-9,17H,3-5,10-16H2,1-2H3,(H,24,27)/p+1