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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methoxyquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxyquinolin-1-ium Traditional Name: 3-besyl-4-[4-(4-fluorophenyl)piperazino]-6-methoxy-quinolin-1-ium Formula: C26H25FN3O3S+ MolecularWeight: 478.558403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O3S/c1-33-21-11-12-24-23(17-21)26(25(18-28-24)34(31,32)22-5-3-2-4-6-22)30-15-13-29(14-16-30)20-9-7-19(27)8-10-20/h2-12,17-18H,13-16H2,1H3/p+1