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

Systemtic Name: potassium 6,8-bis(fluoranyl)-1-(2-fluoranylethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: potassium 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: potassium 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: potassium 6,8-difluoro-1-(2-fluoroethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: potassium 6,8-difluoro-1-(2-fluoroethyl)-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylate Formula: C17H17F3KN3O3 MolecularWeight: 407.42869

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)[O-])CCF)F.[K+]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)[O-])CCF)F.[K+]

InChI

InChI=1S/C17H18F3N3O3.K/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);/q;+1/p-1