[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H24F3N4O4+ MolecularWeight: 417.40277

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1CCN(CC1)C2=[NH+]C=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H23F3N4O4/c1-2-7-22-17(28)24-15(26)11-29-16(27)12-5-8-25(9-6-12)14-4-3-13(10-23-14)18(19,20)21/h3-4,10,12H,2,5-9,11H2,1H3,(H2,22,24,26,28)/p+1