ethyl 4-(cyclopropylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-[3-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H27F3NO2+ MolecularWeight: 370.42909

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=CC=C2)C(F)(F)F)CC3CC3

InChI

InChI=1S/C20H26F3NO2/c1-2-26-18(25)19(13-15-6-7-15)8-10-24(11-9-19)14-16-4-3-5-17(12-16)20(21,22)23/h3-5,12,15H,2,6-11,13-14H2,1H3/p+1