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

Systemtic Name: (3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate Openeye Name: (3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate CAS Name: (3S)-1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3-piperidinecarboxylate IUPAC Name: (3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-3-carboxylate Traditional Name: (3S)-1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]nipecotate Formula: C12H13F3N2O2 MolecularWeight: 274.23903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2O2/c13-12(14,15)9-3-4-10(16-6-9)17-5-1-2-8(7-17)11(18)19/h3-4,6,8H,1-2,5,7H2,(H,18,19)/t8-/m0/s1