4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-methoxy-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-6-methoxy-3-tosyl-quinolin-1-ium Formula: C29H32N3O3S+ MolecularWeight: 502.64768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O3S/c1-20-6-10-24(11-7-20)36(33,34)28-19-30-26-12-9-23(35-4)18-25(26)29(28)32-15-13-31(14-16-32)27-17-21(2)5-8-22(27)3/h5-12,17-19H,13-16H2,1-4H3/p+1