4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-3-(phenylsulfonyl)quinolin-1-ium Openeye Name: 3-(benzenesulfonyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methyl-quinolin-1-ium CAS Name: 3-(benzenesulfonyl)-4-[4-(2-fluorophenyl)-1-piperazinyl]-6-methylquinolin-1-ium IUPAC Name: 3-(benzenesulfonyl)-4-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylquinolin-1-ium Traditional Name: 3-besyl-4-[4-(2-fluorophenyl)piperazino]-6-methyl-quinolin-1-ium Formula: C26H25FN3O2S+ MolecularWeight: 462.559003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC2=C(C(=C[NH+]=C2C=C1)S(=O)(=O)C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C26H24FN3O2S/c1-19-11-12-23-21(17-19)26(25(18-28-23)33(31,32)20-7-3-2-4-8-20)30-15-13-29(14-16-30)24-10-6-5-9-22(24)27/h2-12,17-18H,13-16H2,1H3/p+1