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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide Openeye Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide CAS Name: 1-ethyl-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-3-quinolinecarboxamide IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide Traditional Name: 1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboxamide Formula: C22H28FN6O2S+ MolecularWeight: 459.560123

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CC[NH+](CC4)C)CC

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CC[NH+](CC4)C)CC

InChI

InChI=1S/C22H27FN6O2S/c1-4-6-19-25-26-22(32-19)24-21(31)15-13-28(5-2)17-12-18(16(23)11-14(17)20(15)30)29-9-7-27(3)8-10-29/h11-13H,4-10H2,1-3H3,(H,24,26,31)/p+1