N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-2-(trifluoromethyl)benzamide Openeye Name: N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-2-(trifluoromethyl)benzamide CAS Name: N-[(3R)-1-phenethyl-3-piperidin-1-iumyl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-2-(trifluoromethyl)benzamide Traditional Name: N-[(3R)-1-phenethylpiperidin-1-ium-3-yl]-2-(trifluoromethyl)benzamide Formula: C21H24F3N2O+ MolecularWeight: 377.42327

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1C[C@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N2O/c22-21(23,24)19-11-5-4-10-18(19)20(27)25-17-9-6-13-26(15-17)14-12-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2,(H,25,27)/p+1/t17-/m1/s1