1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate; iron(3+)

Systemtic Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylate; iron(3+) Openeye Name: ferric 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylate; iron(3+) IUPAC Name: 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylate; iron(3+) Traditional Name: ferric 1-cyclopropyl-7-(4-ethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C57H63F3FeN9O9 MolecularWeight: 1131.00523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F.CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F.CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F.[Fe+3]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F.CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F.CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4CC4)F.[Fe+3]

InChI

InChI=1S/3C19H22FN3O3.Fe/c3*1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12;/h3*9-12H,2-8H2,1H3,(H,25,26);/q;;;+3/p-3