6-fluoranyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 6-fluoranyl-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-fluoro-4-[4-(2-methoxyphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 6-fluoro-4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 6-fluoro-4-[4-(2-methoxyphenyl)piperazino]-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=CC=C5OC)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C[NH+]=C3C=CC(=CC3=C2N4CCN(CC4)C5=CC=CC=C5OC)F

InChI

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