1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate Openeye Name: 1-ethyl-6-fluoro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboximidate CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-quinolinecarboximidate IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate Traditional Name: 1-ethyl-6-fluoro-N-(5-isopropyl-1,3,4-thiadiazol-2-yl)-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboximidate Formula: C22H27FN6O2S MolecularWeight: 458.552183

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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=NN=C(S4)C(C)C)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)C(=NC4=NN=C(S4)C(C)C)[O-]

InChI

InChI=1S/C22H27FN6O2S/c1-5-28-12-15(20(31)24-22-26-25-21(32-22)13(2)3)19(30)14-10-16(23)18(11-17(14)28)29-8-6-27(4)7-9-29/h10-13H,5-9H2,1-4H3,(H,24,26,31)