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

Systemtic Name: phenacyl 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: phenacyl 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid phenacyl ester Formula: C20H20F3N2O3+ MolecularWeight: 393.37961

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F3N2O3/c21-20(22,23)16-6-7-18(24-12-16)25-10-8-15(9-11-25)19(27)28-13-17(26)14-4-2-1-3-5-14/h1-7,12,15H,8-11,13H2/p+1