2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Formula: C20H27N2O6S+ MolecularWeight: 423.50318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C20H26N2O6S/c1-26-16-4-6-17(7-5-16)29(24,25)22-10-8-21(9-11-22)14-15-12-18(27-2)20(23)19(13-15)28-3/h4-7,12-13,23H,8-11,14H2,1-3H3/p+1