(3R)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate

Systemtic Name: (3R)-1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate Openeye Name: (3R)-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinecarboxylate IUPAC Name: (3R)-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]nipecotate Formula: C12H12ClF3N2O2 MolecularWeight: 308.68409

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)[O-]

InChI

InChI=1S/C12H12ClF3N2O2/c13-9-4-8(12(14,15)16)5-17-10(9)18-3-1-2-7(6-18)11(19)20/h4-5,7H,1-3,6H2,(H,19,20)/t7-/m1/s1