methyl 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid methyl ester Formula: C13H15ClF3N2O2+ MolecularWeight: 323.71861

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C13H14ClF3N2O2/c1-21-12(20)8-2-4-19(5-3-8)11-10(14)6-9(7-18-11)13(15,16)17/h6-8H,2-5H2,1H3/p+1