ethyl 5-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 5-cyano-6-(4-ethoxycarbonyl-1-piperidyl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate CAS Name: 5-cyano-6-(4-ethoxycarbonyl-1-piperidinyl)-2-(trifluoromethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-(4-ethoxycarbonylpiperidin-1-yl)-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate Traditional Name: 6-(4-carbethoxypiperidino)-5-cyano-2-(trifluoromethyl)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C18H21F3N3O4+ MolecularWeight: 400.37225

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=[NH+]C(=C(C=C2C#N)C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=[NH+]C(=C(C=C2C#N)C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O4/c1-3-27-16(25)11-5-7-24(8-6-11)15-12(10-22)9-13(17(26)28-4-2)14(23-15)18(19,20)21/h9,11H,3-8H2,1-2H3/p+1