1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Openeye Name: 1-ethyl-6,8-difluoro-4-oxo-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate CAS Name: 1-ethyl-6,8-difluoro-4-oxo-7-(1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6,8-difluoro-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-piperazin-4-ium-1-yl-quinoline-3-carboxylate Formula: C16H17F2N3O3 MolecularWeight: 337.321286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC[NH2+]CC3)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC[NH2+]CC3)F)C(=O)[O-]

InChI

InChI=1S/C16H17F2N3O3/c1-2-20-8-10(16(23)24)15(22)9-7-11(17)14(12(18)13(9)20)21-5-3-19-4-6-21/h7-8,19H,2-6H2,1H3,(H,23,24)