N-(2-hydroxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(2-hydroxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(2-hydroxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-(2-hydroxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(2-hydroxyphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(2-hydroxyphenyl)-1-[3-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxamide Formula: C20H22F3N2O2+ MolecularWeight: 379.39609

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC=CC=C2O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2/c21-20(22,23)16-5-3-4-14(12-16)13-25-10-8-15(9-11-25)19(27)24-17-6-1-2-7-18(17)26/h1-7,12,15,26H,8-11,13H2,(H,24,27)/p+1