N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[(3R)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Formula: C23H24F3N2O+ MolecularWeight: 401.44467

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC#CC2=CC=CC=C2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C23H23F3N2O/c24-23(25,26)21-12-4-11-20(15-21)22(29)27-16-19-10-6-14-28(17-19)13-5-9-18-7-2-1-3-8-18/h1-4,7-8,11-12,15,19H,6,10,13-14,16-17H2,(H,27,29)/p+1/t19-/m1/s1