ethyl 1-(3-pyrazol-1-ylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(3-pyrazol-1-ylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(3-pyrazol-1-ylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[3-(1-pyrazolyl)propyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-pyrazol-1-ylpropyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-pyrazol-1-ylpropyl)-4-[2-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H29F3N3O2+ MolecularWeight: 424.47977

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CCCN2C=CC=N2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CCCN2C=CC=N2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C22H28F3N3O2/c1-2-30-20(29)21(17-18-7-3-4-8-19(18)22(23,24)25)9-15-27(16-10-21)12-6-14-28-13-5-11-26-28/h3-5,7-8,11,13H,2,6,9-10,12,14-17H2,1H3/p+1