1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(2-pyridylmethyl)quinoline-3-carboxamide CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-N-(2-pyridinylmethyl)-3-quinolinecarboxamide IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)-N-(2-pyridylmethyl)quinoline-3-carboxamide Formula: C23H27FN5O2+ MolecularWeight: 424.491183

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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)NCC4=CC=CC=N4

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H26FN5O2/c1-3-28-15-18(23(31)26-14-16-6-4-5-7-25-16)22(30)17-12-19(24)21(13-20(17)28)29-10-8-27(2)9-11-29/h4-7,12-13,15H,3,8-11,14H2,1-2H3,(H,26,31)/p+1