6,8-bis(fluoranyl)-1-(methylamino)-1-oxidanidyl-7-piperazin-1-yl-4H-quinolin-1-ium-4-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(methylamino)-1-oxidanidyl-7-piperazin-1-yl-4H-quinolin-1-ium-4-carboxylic acid Openeye Name: 6,8-difluoro-1-(methylamino)-1-oxido-7-piperazin-1-yl-4H-quinolin-1-ium-4-carboxylic acid CAS Name: 6,8-difluoro-1-(methylamino)-1-oxido-7-(1-piperazinyl)-4H-quinolin-1-ium-4-carboxylic acid IUPAC Name: 6,8-difluoro-1-(methylamino)-1-oxido-7-piperazin-1-yl-4H-quinolin-1-ium-4-carboxylic acid Traditional Name: 6,8-difluoro-1-(methylamino)-1-oxido-7-piperazino-4H-quinolin-1-ium-4-carboxylic acid Formula: C15H18F2N4O3 MolecularWeight: 340.325226

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Descriptors Computed from Structure

Canonical SMILES:

CN[N+]1(C=CC(C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O)[O-]

Isomeric SMILES

CN[N+]1(C=CC(C2=CC(=C(C(=C21)F)N3CCNCC3)F)C(=O)O)[O-]

InChI

InChI=1S/C15H18F2N4O3/c1-18-21(24)7-2-9(15(22)23)10-8-11(16)13(12(17)14(10)21)20-5-3-19-4-6-20/h2,7-9,18-19H,3-6H2,1H3,(H,22,23)