4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(3-chlorophenyl)piperazino]-3-tosyl-quinolin-1-ium Formula: C26H25ClN3O2S+ MolecularWeight: 479.0136

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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=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C26H24ClN3O2S/c1-19-9-11-22(12-10-19)33(31,32)25-18-28-24-8-3-2-7-23(24)26(25)30-15-13-29(14-16-30)21-6-4-5-20(27)17-21/h2-12,17-18H,13-16H2,1H3/p+1