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

Systemtic Name: N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Formula: C20H23F3N3O+ MolecularWeight: 378.41133

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=N2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=N2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O/c21-20(22,23)17-7-3-6-16(11-17)19(27)25-12-15-5-4-10-26(13-15)14-18-8-1-2-9-24-18/h1-3,6-9,11,15H,4-5,10,12-14H2,(H,25,27)/p+1/t15-/m1/s1