tetrasodium 1-cyclopropyl-7-[4-(3,3-diphosphonatopropanoyl)-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: tetrasodium 1-cyclopropyl-7-[4-(3,3-diphosphonatopropanoyl)-3-methyl-piperazin-1-yl]-6-fluoranyl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: tetrasodium 1-cyclopropyl-7-[4-(3,3-diphosphonatopropanoyl)-3-methyl-piperazin-1-yl]-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: tetrasodium 1-cyclopropyl-6-fluoro-8-methoxy-7-[3-methyl-4-(1-oxo-3,3-diphosphonatopropyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: tetrasodium 1-cyclopropyl-7-[4-(3,3-diphosphonatopropanoyl)-3-methylpiperazin-1-yl]-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: tetrasodium 1-cyclopropyl-7-[4-(3,3-diphosphonatopropanoyl)-3-methyl-piperazino]-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C22H24FN3Na4O11P2 MolecularWeight: 679.344465

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-])C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1CN(CCN1C(=O)CC(P(=O)([O-])[O-])P(=O)([O-])[O-])C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C22H28FN3O11P2.4Na/c1-11-9-24(5-6-25(11)16(27)8-17(38(31,32)33)39(34,35)36)19-15(23)7-13-18(21(19)37-2)26(12-3-4-12)10-14(20(13)28)22(29)30;;;;/h7,10-12,17H,3-6,8-9H2,1-2H3,(H,29,30)(H2,31,32,33)(H2,34,35,36);;;;/q;4*+1/p-4