1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-4-oxidanylidene-N-(5-propyl-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-propyl-1,3,4-thiadiazol-2-yl)quinoline-3-carboximidate 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-carboximidate 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-quinolinecarboximidate 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-carboximidate 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-carboximidate Formula: C22H27FN6O2S MolecularWeight: 458.552183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)