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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-methoxy-3-tosyl-quinolin-1-ium Formula: C27H27FN3O3S+ MolecularWeight: 492.584983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)F)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=C(C=C5)F)OC

InChI

InChI=1S/C27H26FN3O3S/c1-19-3-10-23(11-4-19)35(32,33)26-18-29-25-12-9-22(34-2)17-24(25)27(26)31-15-13-30(14-16-31)21-7-5-20(28)6-8-21/h3-12,17-18H,13-16H2,1-2H3/p+1