sodium 1-cyclopropyl-6-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: sodium 1-cyclopropyl-6-fluoranyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: sodium 2-tert-butoxycarbonyl-1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: sodium 1-cyclopropyl-6-fluoro-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylate IUPAC Name: sodium 1-cyclopropyl-6-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: sodium 2-tert-butoxycarbonyl-1-cyclopropyl-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylate Formula: C22H25FN3NaO5 MolecularWeight: 453.439173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(C(=O)C2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(C(=O)C2=CC(=C(C=C2N1C3CC3)N4CCNCC4)F)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H26FN3O5.Na/c1-22(2,3)31-21(30)18-17(20(28)29)19(27)13-10-14(23)16(25-8-6-24-7-9-25)11-15(13)26(18)12-4-5-12;/h10-12,24H,4-9H2,1-3H3,(H,28,29);/q;+1/p-1