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

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-carboximidate 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-carboximidate 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-quinolinecarboximidate 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-carboximidate 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-carboximidate Formula: C21H25FN6O2S MolecularWeight: 444.525603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)