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

Systemtic Name: 6-chloranyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-6-chloro-4-[4-(4-fluorophenyl)-1-piperazinyl]quinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-6-chloro-4-[4-(4-fluorophenyl)piperazin-1-yl]quinolin-1-ium Traditional Name: 3-besyl-6-chloro-4-[4-(4-fluorophenyl)piperazino]quinolin-1-ium Formula: C25H22ClFN3O2S+ MolecularWeight: 482.977483

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClFN3O2S/c26-18-6-11-23-22(16-18)25(24(17-28-23)33(31,32)21-4-2-1-3-5-21)30-14-12-29(13-15-30)20-9-7-19(27)8-10-20/h1-11,16-17H,12-15H2/p+1