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

Systemtic Name: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methyl-1-piperazin-4-iumyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: 1-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-fluoro-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxamide Formula: C21H26FN6O2S+ MolecularWeight: 445.533543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CC[NH+](CC4)C)CC

Isomeric SMILES

CCC1=NN=C(S1)NC(=O)C2=CN(C3=CC(=C(C=C3C2=O)F)N4CC[NH+](CC4)C)CC

InChI

InChI=1S/C21H25FN6O2S/c1-4-18-24-25-21(31-18)23-20(30)14-12-27(5-2)16-11-17(15(22)10-13(16)19(14)29)28-8-6-26(3)7-9-28/h10-12H,4-9H2,1-3H3,(H,23,25,30)/p+1