ethyl 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-[2-(trifluoromethyl)phenyl]-2-pyrrolyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-[2-(trifluoromethyl)phenyl]pyrrol-2-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H24F3N2O2+ MolecularWeight: 381.41197

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC=CN2C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H23F3N2O2/c1-2-27-19(26)15-9-12-24(13-10-15)14-16-6-5-11-25(16)18-8-4-3-7-17(18)20(21,22)23/h3-8,11,15H,2,9-10,12-14H2,1H3/p+1