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

Systemtic Name: cyanomethyl 1-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C14H14ClF3N3O2+ MolecularWeight: 348.72807

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC#N)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)OCC#N)C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl

InChI

InChI=1S/C14H13ClF3N3O2/c15-11-7-10(14(16,17)18)8-20-12(11)21-4-1-9(2-5-21)13(22)23-6-3-19/h7-9H,1-2,4-6H2/p+1