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

Systemtic Name: (4-cyanophenyl)methyl 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid (4-cyanobenzyl) ester Formula: C20H19F3N3O2+ MolecularWeight: 390.37897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C#N)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)C#N)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H18F3N3O2/c21-20(22,23)17-5-6-18(25-12-17)26-9-7-16(8-10-26)19(27)28-13-15-3-1-14(11-24)2-4-15/h1-6,12,16H,7-10,13H2/p+1