8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[(1S)-1-methyl-2,3-dihydro-1H-isoindol-2-ium-5-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-[(1S)-1-methyl-2,3-dihydro-1H-isoindol-2-ium-5-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1S)-1-methylisoindolin-2-ium-5-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1S)-1-methyl-2,3-dihydro-1H-isoindol-2-ium-5-yl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-7-[(1S)-1-methyl-2,3-dihydro-1H-isoindol-2-ium-5-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-4-keto-7-[(1S)-1-methylisoindolin-2-ium-5-yl]quinoline-3-carboxylate Formula: C23H20F2N2O4 MolecularWeight: 426.412706

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C[NH2+]1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)[O-])OC(F)F

Isomeric SMILES

C[C@H]1C2=C(C[NH2+]1)C=C(C=C2)C3=C(C4=C(C=C3)C(=O)C(=CN4C5CC5)C(=O)[O-])OC(F)F

InChI

InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m0/s1