6-fluoranyl-3-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide

Systemtic Name: 6-fluoranyl-3-methyl-N-(3-methyl-1-oxidanyl-pentan-2-yl)-7-(4-methylpiperazin-1-yl)-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxamide Openeye Name: 6-fluoro-N-[1-(hydroxymethyl)-2-methyl-butyl]-3-methyl-7-(4-methylpiperazin-1-yl)-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxamide CAS Name: 6-fluoro-N-(1-hydroxy-3-methylpentan-2-yl)-3-methyl-7-(4-methyl-1-piperazinyl)-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxamide IUPAC Name: 6-fluoro-N-(1-hydroxy-3-methylpentan-2-yl)-3-methyl-7-(4-methylpiperazin-1-yl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide Traditional Name: 6-fluoro-1-keto-3-methyl-N-(2-methyl-1-methylol-butyl)-7-(4-methylpiperazino)-4-oxido-quinoxalin-1-ium-2-carboxamide Formula: C21H30FN5O4 MolecularWeight: 435.492403

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CO)NC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)N3CCN(CC3)C)F)[O-])C

Isomeric SMILES

CCC(C)C(CO)NC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)N3CCN(CC3)C)F)[O-])C

InChI

InChI=1S/C21H30FN5O4/c1-5-13(2)16(12-28)23-21(29)20-14(3)26(30)18-10-15(22)17(11-19(18)27(20)31)25-8-6-24(4)7-9-25/h10-11,13,16,28H,5-9,12H2,1-4H3,(H,23,29)