1-ethyl-6,8-bis(fluoranyl)-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6,8-bis(fluoranyl)-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6,8-difluoro-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6,8-difluoro-7-[(3S)-3-methyl-1-piperazin-4-iumyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6,8-difluoro-7-[(3S)-3-methylpiperazin-4-ium-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-[(3S)-3-methylpiperazin-4-ium-1-yl]quinoline-3-carboxylate Formula: C17H19F2N3O3 MolecularWeight: 351.347866

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC[NH2+]C(C3)C)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC[NH2+][C@H](C3)C)F)C(=O)[O-]

InChI

InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)/t9-/m0/s1