6-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-fluoranyl-4-(4-methylpiperazin-4-ium-1-yl)-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-fluoro-4-(4-methyl-1-piperazin-4-iumyl)quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Traditional Name: 3-besyl-6-fluoro-4-(4-methylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C20H22FN3O2S+2 MolecularWeight: 387.470983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2S(=O)(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C20H20FN3O2S/c1-23-9-11-24(12-10-23)20-17-13-15(21)7-8-18(17)22-14-19(20)27(25,26)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3/p+2