[2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2,2,2-tris(fluoranyl)ethylamino]ethyl] 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid [2-keto-2-(2,2,2-trifluoroethylamino)ethyl] ester Formula: C10H11F3N3O3+ MolecularWeight: 278.20785

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C([NH+]=C1)N)C(=O)OCC(=O)NCC(F)(F)F

Isomeric SMILES

C1=CC(=C([NH+]=C1)N)C(=O)OCC(=O)NCC(F)(F)F

InChI

InChI=1S/C10H10F3N3O3/c11-10(12,13)5-16-7(17)4-19-9(18)6-2-1-3-15-8(6)14/h1-3H,4-5H2,(H2,14,15)(H,16,17)/p+1