3-azanylidene-6-(azepan-1-yl)-7-fluoranyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carboxamide

Systemtic Name: 3-azanylidene-6-(azepan-1-yl)-7-fluoranyl-1-oxidanidyl-4-oxidanyl-quinoxalin-1-ium-2-carboxamide Openeye Name: 6-(azepan-1-yl)-7-fluoro-4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-2-carboxamide CAS Name: 6-(1-azepanyl)-7-fluoro-4-hydroxy-3-imino-1-oxido-2-quinoxalin-1-iumcarboxamide IUPAC Name: 6-(azepan-1-yl)-7-fluoro-4-hydroxy-3-imino-1-oxidoquinoxalin-1-ium-2-carboxamide Traditional Name: 6-(azepan-1-yl)-7-fluoro-4-hydroxy-3-imino-1-oxido-quinoxalin-1-ium-2-carboxamide Formula: C15H18FN5O3 MolecularWeight: 335.333523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C3C(=C2)N(C(=N)C(=[N+]3[O-])C(=O)N)O)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C3C(=C2)N(C(=N)C(=[N+]3[O-])C(=O)N)O)F

InChI

InChI=1S/C15H18FN5O3/c16-9-7-11-12(8-10(9)19-5-3-1-2-4-6-19)21(24)14(17)13(15(18)22)20(11)23/h7-8,17,24H,1-6H2,(H2,18,22)