6-fluoranyl-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperazin-4-ium-1-yl)-1-propyl-quinolin-4-one

Systemtic Name: 6-fluoranyl-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperazin-4-ium-1-yl)-1-propyl-quinolin-4-one Openeye Name: 6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-1-propyl-3-(p-tolylsulfonyl)quinolin-4-one CAS Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-methyl-1-piperazin-4-iumyl)-1-propyl-4-quinolinone IUPAC Name: 6-fluoro-3-(4-methylphenyl)sulfonyl-7-(4-methylpiperazin-4-ium-1-yl)-1-propylquinolin-4-one Traditional Name: 6-fluoro-7-(4-methylpiperazin-4-ium-1-yl)-1-propyl-3-tosyl-4-quinolone Formula: C24H29FN3O3S+ MolecularWeight: 458.568763

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN1C=C(C(=O)C2=CC(=C(C=C21)N3CC[NH+](CC3)C)F)S(=O)(=O)C4=CC=C(C=C4)C

InChI

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