6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium

Systemtic Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Openeye Name: 6-methyl-4-(4-phenylpiperazin-1-yl)-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-phenyl-1-piperazinyl)quinolin-1-ium IUPAC Name: 6-methyl-3-(4-methylphenyl)sulfonyl-4-(4-phenylpiperazin-1-yl)quinolin-1-ium Traditional Name: 6-methyl-4-(4-phenylpiperazino)-3-tosyl-quinolin-1-ium Formula: C27H28N3O2S+ MolecularWeight: 458.59512

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=C5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O2S/c1-20-8-11-23(12-9-20)33(31,32)26-19-28-25-13-10-21(2)18-24(25)27(26)30-16-14-29(15-17-30)22-6-4-3-5-7-22/h3-13,18-19H,14-17H2,1-2H3/p+1