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

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-3-tosyl-quinolin-1-ium Formula: C28H30N3O2S+ MolecularWeight: 472.6217

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=C(C=CC(=C5)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3[NH+]=C2)N4CCN(CC4)C5=C(C=CC(=C5)C)C

InChI

InChI=1S/C28H29N3O2S/c1-20-9-12-23(13-10-20)34(32,33)27-19-29-25-7-5-4-6-24(25)28(27)31-16-14-30(15-17-31)26-18-21(2)8-11-22(26)3/h4-13,18-19H,14-17H2,1-3H3/p+1