1-(4-methylphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium

Systemtic Name: 1-(4-methylphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium Openeye Name: 1-(p-tolylsulfonyl)-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium CAS Name: 1-(4-methylphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium IUPAC Name: 1-(4-methylphenyl)sulfonyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium Traditional Name: 1-tosyl-4-(3,4,5-trimethoxyphenyl)piperazin-4-ium Formula: C20H27N2O5S+ MolecularWeight: 407.50378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C20H26N2O5S/c1-15-5-7-17(8-6-15)28(23,24)22-11-9-21(10-12-22)16-13-18(25-2)20(27-4)19(14-16)26-3/h5-8,13-14H,9-12H2,1-4H3/p+1