1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]quinoline-3-carboxylate

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]quinoline-3-carboxylate Openeye Name: 7-[4-(allylcarbamothioyl)piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(prop-2-enylamino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-(prop-2-enylcarbamothioyl)piperazin-1-ium-1-yl]quinoline-3-carboxylate Traditional Name: 7-[4-(allylthiocarbamoyl)piperazin-1-ium-1-yl]-1-ethyl-6-fluoro-4-keto-quinoline-3-carboxylate Formula: C20H23FN4O3S MolecularWeight: 418.485023

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)[NH+]3CCN(CC3)C(=S)NCC=C)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)[NH+]3CCN(CC3)C(=S)NCC=C)F)C(=O)[O-]

InChI

InChI=1S/C20H23FN4O3S/c1-3-5-22-20(29)25-8-6-24(7-9-25)17-11-16-13(10-15(17)21)18(26)14(19(27)28)12-23(16)4-2/h3,10-12H,1,4-9H2,2H3,(H,22,29)(H,27,28)