1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboximidate

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboximidate Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(4-phenylthiazol-2-yl)quinoline-3-carboximidate CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-N-(4-phenyl-2-thiazolyl)-3-quinolinecarboximidate IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-3-carboximidate Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)-N-(4-phenylthiazol-2-yl)quinoline-3-carboximidate Formula: C26H26FN5O2S MolecularWeight: 491.580343

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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(=NC4=NC(=CS4)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=NC4=NC(=CS4)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C26H26FN5O2S/c1-3-31-15-19(25(34)29-26-28-21(16-35-26)17-7-5-4-6-8-17)24(33)18-13-20(27)23(14-22(18)31)32-11-9-30(2)10-12-32/h4-8,13-16H,3,9-12H2,1-2H3,(H,28,29,34)