6-fluoranyl-1-hexyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: 6-fluoranyl-1-hexyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 6-fluoro-1-hexyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-fluoro-1-hexyl-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxylate IUPAC Name: 6-fluoro-1-hexyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-1-hexyl-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Formula: C21H28FN3O3 MolecularWeight: 389.463723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)[O-]

Isomeric SMILES

CCCCCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)[O-]

InChI

InChI=1S/C21H28FN3O3/c1-3-4-5-6-7-25-14-16(21(27)28)20(26)15-12-17(22)19(13-18(15)25)24-10-8-23(2)9-11-24/h12-14H,3-11H2,1-2H3,(H,27,28)