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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonyl-quinolin-1-ium Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(p-tolylsulfonyl)quinolin-1-ium CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(4-methylphenyl)sulfonylquinolin-1-ium IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylquinolin-1-ium Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-3-tosyl-quinolin-1-ium Formula: C27H28N3O3S+ MolecularWeight: 474.59452

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H27N3O3S/c1-20-7-13-23(14-8-20)34(31,32)26-19-28-25-6-4-3-5-24(25)27(26)30-17-15-29(16-18-30)21-9-11-22(33-2)12-10-21/h3-14,19H,15-18H2,1-2H3/p+1