(4-fluorophenyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: (4-fluorophenyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: (4-fluorophenyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid (4-fluorophenyl) ester Formula: C18H17F4N2O2+ MolecularWeight: 369.333393

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)F)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)F)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H16F4N2O2/c19-14-2-4-15(5-3-14)26-17(25)12-7-9-24(10-8-12)16-6-1-13(11-23-16)18(20,21)22/h1-6,11-12H,7-10H2/p+1