7-fluoranyl-3-methyl-N-(2-methylphenyl)-6-morpholin-4-yl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: 7-fluoranyl-3-methyl-N-(2-methylphenyl)-6-morpholin-4-yl-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: 7-fluoro-3-methyl-6-morpholino-N-(o-tolyl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: 7-fluoro-3-methyl-N-(2-methylphenyl)-6-(4-morpholinyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: 7-fluoro-3-methyl-N-(2-methylphenyl)-6-morpholin-4-yl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: 7-fluoro-1-keto-3-methyl-6-morpholino-N-(o-tolyl)-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)N4CCOCC4)[O-])C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)N4CCOCC4)[O-])C

InChI

InChI=1S/C21H21FN4O4/c1-13-5-3-4-6-16(13)23-21(27)20-14(2)25(28)19-12-17(24-7-9-30-10-8-24)15(22)11-18(19)26(20)29/h3-6,11-12H,7-10H2,1-2H3,(H,23,27)