4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2-fluorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-4-[4-(2-fluorophenyl)piperazino]quinolin-1-ium Formula: C25H23FN3O2S+ MolecularWeight: 448.532423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C=[NH+]C4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H22FN3O2S/c26-21-11-5-7-13-23(21)28-14-16-29(17-15-28)25-20-10-4-6-12-22(20)27-18-24(25)32(30,31)19-8-2-1-3-9-19/h1-13,18H,14-17H2/p+1