ethyl 1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-oxidanidylpyridin-1-ium-3-yl)carbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[(1-oxido-3-pyridin-1-iumyl)-oxomethyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(1-oxidopyridin-1-ium-3-carbonyl)-4-[2-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C22H23F3N2O4 MolecularWeight: 436.42423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=C[N+](=CC=C2)[O-])CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H23F3N2O4/c1-2-31-20(29)21(14-16-6-3-4-8-18(16)22(23,24)25)9-12-26(13-10-21)19(28)17-7-5-11-27(30)15-17/h3-8,11,15H,2,9-10,12-14H2,1H3