6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(3-oxidanyl-3,3-diphosphono-propyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-1-(3-oxidanyl-3,3-diphosphono-propyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(3-hydroxy-3,3-diphosphono-propyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(3-hydroxy-3,3-diphosphonopropyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(3-hydroxy-3,3-diphosphonopropyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(3-hydroxy-3,3-diphosphono-propyl)-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C18H24FN3O10P2 MolecularWeight: 523.343185

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCC(O)(P(=O)(O)O)P(=O)(O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CCC(O)(P(=O)(O)O)P(=O)(O)O)F

InChI

InChI=1S/C18H24FN3O10P2/c1-20-4-6-21(7-5-20)15-9-14-11(8-13(15)19)16(23)12(17(24)25)10-22(14)3-2-18(26,33(27,28)29)34(30,31)32/h8-10,26H,2-7H2,1H3,(H,24,25)(H2,27,28,29)(H2,30,31,32)