ethyl 1-(1H-imidazol-3-ium-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1H-imidazol-3-ium-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-(1H-imidazol-3-ium-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-(1H-imidazol-3-ium-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-imidazol-3-ium-2-ylmethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-(1H-imidazol-3-ium-2-ylmethyl)-4-[3-(trifluoromethyl)benzyl]isonipecotic acid ethyl ester Formula: C20H25F3N3O2+ MolecularWeight: 396.42661

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=[NH+]C=CN2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=[NH+]C=CN2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O2/c1-2-28-18(27)19(13-15-4-3-5-16(12-15)20(21,22)23)6-10-26(11-7-19)14-17-24-8-9-25-17/h3-5,8-9,12H,2,6-7,10-11,13-14H2,1H3,(H,24,25)/p+1