1-ethyl-6-fluoranyl-3-(phenylsulfonyl)-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one

Systemtic Name: 1-ethyl-6-fluoranyl-3-(phenylsulfonyl)-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one Openeye Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one CAS Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-propyl-1-piperazin-4-iumyl)-4-quinolinone IUPAC Name: 3-(benzenesulfonyl)-1-ethyl-6-fluoro-7-(4-propylpiperazin-4-ium-1-yl)quinolin-4-one Traditional Name: 3-besyl-1-ethyl-6-fluoro-7-(4-propylpiperazin-4-ium-1-yl)-4-quinolone Formula: C24H29FN3O3S+ MolecularWeight: 458.568763

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)CC)F

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)S(=O)(=O)C4=CC=CC=C4)CC)F

InChI

InChI=1S/C24H28FN3O3S/c1-3-10-26-11-13-28(14-12-26)22-16-21-19(15-20(22)25)24(29)23(17-27(21)4-2)32(30,31)18-8-6-5-7-9-18/h5-9,15-17H,3-4,10-14H2,1-2H3/p+1