magnesium 5-azanyl-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: magnesium 5-azanyl-8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: magnesium 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: magnesium 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: magnesium 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: magnesium 5-amino-1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylate Formula: C38H40F6MgN8O8 MolecularWeight: 875.068419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])OC(F)F.CC1CN(CCN1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])OC(F)F.[Mg+2]

Isomeric SMILES

CC1CN(CCN1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])OC(F)F.CC1CN(CCN1)C2=C(C3=C(C(=C2F)N)C(=O)C(=CN3C4CC4)C(=O)[O-])OC(F)F.[Mg+2]

InChI

InChI=1S/2C19H21F3N4O4.Mg/c2*1-8-6-25(5-4-24-8)15-12(20)13(23)11-14(17(15)30-19(21)22)26(9-2-3-9)7-10(16(11)27)18(28)29;/h2*7-9,19,24H,2-6,23H2,1H3,(H,28,29);/q;;+2/p-2