6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate

Systemtic Name: 6-fluoranyl-1-(4-fluorophenyl)-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(4-fluorophenyl)-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Formula: C20H17F2N3O3 MolecularWeight: 385.364086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=CC=C(C=C4)F)F

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)[O-])C4=CC=C(C=C4)F)F

InChI

InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)