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

Systemtic Name: 2,6-dimethoxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[(4-tosylpiperazin-1-ium-1-yl)methyl]phenol Formula: C20H27N2O5S+ MolecularWeight: 407.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C20H26N2O5S/c1-15-4-6-17(7-5-15)28(24,25)22-10-8-21(9-11-22)14-16-12-18(26-2)20(23)19(13-16)27-3/h4-7,12-13,23H,8-11,14H2,1-3H3/p+1