1-ethyl-6-fluoranyl-N,N-bis(3-methylbutyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 1-ethyl-6-fluoranyl-N,N-bis(3-methylbutyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-N,N-diisopentyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-ethyl-6-fluoro-N,N-bis(3-methylbutyl)-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-ethyl-6-fluoro-N,N-bis(3-methylbutyl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-N,N-diisoamyl-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxamide Formula: C27H42FN4O2+ MolecularWeight: 473.646383

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)N(CCC(C)C)CCC(C)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)N(CCC(C)C)CCC(C)C

InChI

InChI=1S/C27H41FN4O2/c1-7-30-18-22(27(34)32(10-8-19(2)3)11-9-20(4)5)26(33)21-16-23(28)25(17-24(21)30)31-14-12-29(6)13-15-31/h16-20H,7-15H2,1-6H3/p+1