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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC=CN2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC=CN2)CC3=CC=CC=C3C(F)(F)F

InChI

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