6-(3-azanylpyrrolidin-1-yl)-4-cyclopropyl-7-fluoranyl-1-oxidanidyl-1H-quinoxalin-1-ium-2-carboxylic acid; 4H-cinnolin-3-one

Systemtic Name: 6-(3-azanylpyrrolidin-1-yl)-4-cyclopropyl-7-fluoranyl-1-oxidanidyl-1H-quinoxalin-1-ium-2-carboxylic acid; 4H-cinnolin-3-one Openeye Name: 6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-1-oxido-1H-quinoxalin-1-ium-2-carboxylic acid; 4H-cinnolin-3-one CAS Name: 6-(3-amino-1-pyrrolidinyl)-4-cyclopropyl-7-fluoro-1-oxido-1H-quinoxalin-1-ium-2-carboxylic acid; 4H-cinnolin-3-one IUPAC Name: 6-(3-aminopyrrolidin-1-yl)-4-cyclopropyl-7-fluoro-1-oxido-1H-quinoxalin-1-ium-2-carboxylic acid; 4H-cinnolin-3-one Traditional Name: 6-(3-aminopyrrolidino)-4-cyclopropyl-7-fluoro-1-oxido-1H-quinoxalin-1-ium-2-carboxylic acid; 4H-cinnolin-3-one Formula: C24H25FN6O4 MolecularWeight: 480.491503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C([NH+](C3=CC(=C(C=C32)N4CCC(C4)N)F)[O-])C(=O)O.C1C2=CC=CC=C2N=NC1=O

Isomeric SMILES

C1CC1N2C=C([NH+](C3=CC(=C(C=C32)N4CCC(C4)N)F)[O-])C(=O)O.C1C2=CC=CC=C2N=NC1=O

InChI

InChI=1S/C16H19FN4O3.C8H6N2O/c17-11-5-14-13(6-12(11)19-4-3-9(18)7-19)20(10-1-2-10)8-15(16(22)23)21(14)24;11-8-5-6-3-1-2-4-7(6)9-10-8/h5-6,8-10,21H,1-4,7,18H2,(H,22,23);1-4H,5H2