1-methyl-2-oxidanylidene-4-(2-piperidin-1-ium-1-ylethanoyl)-3H-quinoxaline-6-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 1-methyl-2-oxidanylidene-4-(2-piperidin-1-ium-1-ylethanoyl)-3H-quinoxaline-6-carboxylic acid; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 1-methyl-2-oxo-4-(2-piperidin-1-ium-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid; 2,2,2-trifluoroacetate CAS Name: 1-methyl-2-oxo-4-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-3H-quinoxaline-6-carboxylic acid; 2,2,2-trifluoroacetate IUPAC Name: 1-methyl-2-oxo-4-(2-piperidin-1-ium-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid; 2,2,2-trifluoroacetate Traditional Name: 2-keto-1-methyl-4-(2-piperidin-1-ium-1-ylacetyl)-3H-quinoxaline-6-carboxylic acid; 2,2,2-trifluoroacetate Formula: C19H22F3N3O6 MolecularWeight: 445.38969

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN(C2=C1C=CC(=C2)C(=O)O)C(=O)C[NH+]3CCCCC3.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

CN1C(=O)CN(C2=C1C=CC(=C2)C(=O)O)C(=O)C[NH+]3CCCCC3.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C17H21N3O4.C2HF3O2/c1-18-13-6-5-12(17(23)24)9-14(13)20(11-15(18)21)16(22)10-19-7-3-2-4-8-19;3-2(4,5)1(6)7/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,23,24);(H,6,7)