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

Systemtic Name: 1-ethyl-6-fluoranyl-7-(4-methylpiperazin-4-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxidanylidene-quinoline-3-carboximidate Openeye Name: 1-ethyl-6-fluoro-N-(5-isobutyl-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)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxo-3-quinolinecarboximidate IUPAC Name: 1-ethyl-6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-oxoquinoline-3-carboximidate Traditional Name: 1-ethyl-6-fluoro-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-4-keto-7-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboximidate Formula: C23H29FN6O2S MolecularWeight: 472.578763

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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)CC(C)C)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H29FN6O2S/c1-5-29-13-16(22(32)25-23-27-26-20(33-23)10-14(2)3)21(31)15-11-17(24)19(12-18(15)29)30-8-6-28(4)7-9-30/h11-14H,5-10H2,1-4H3,(H,25,27,32)