6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6,8-difluoro-1-(2-fluoroethyl)-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Formula: C17H18F3N3O3 MolecularWeight: 369.33833

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)[O-])CCF)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)[O-])CCF)F

InChI

InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)