6-fluoranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 6-fluoranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-fluoro-4-[4-(4-fluorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-fluoro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-fluoro-4-[4-(4-fluorophenyl)piperazino]quinolin-1-ium Formula: C25H22F2N3O2S+ MolecularWeight: 466.522886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=CC=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C4C=C(C=CC4=[NH+]C=C3S(=O)(=O)C5=CC=CC=C5)F

InChI

InChI=1S/C25H21F2N3O2S/c26-18-6-9-20(10-7-18)29-12-14-30(15-13-29)25-22-16-19(27)8-11-23(22)28-17-24(25)33(31,32)21-4-2-1-3-5-21/h1-11,16-17H,12-15H2/p+1