2-chloranyl-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-5-(trifluoromethyl)benzamide

Systemtic Name: 2-chloranyl-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-5-(trifluoromethyl)benzamide Openeye Name: 2-chloro-N-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-5-(trifluoromethyl)benzamide CAS Name: 2-chloro-N-[(3R)-1-(2-pyridinylmethyl)-3-piperidin-1-iumyl]-5-(trifluoromethyl)benzamide IUPAC Name: 2-chloro-N-[(3R)-1-(pyridin-2-ylmethyl)piperidin-1-ium-3-yl]-5-(trifluoromethyl)benzamide Traditional Name: 2-chloro-N-[(3R)-1-(2-pyridylmethyl)piperidin-1-ium-3-yl]-5-(trifluoromethyl)benzamide Formula: C19H20ClF3N3O+ MolecularWeight: 398.82981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClF3N3O/c20-17-7-6-13(19(21,22)23)10-16(17)18(27)25-15-5-3-9-26(12-15)11-14-4-1-2-8-24-14/h1-2,4,6-8,10,15H,3,5,9,11-12H2,(H,25,27)/p+1/t15-/m1/s1