2,6-dimethoxy-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[(4-besylpiperazin-1-ium-1-yl)methyl]-2,6-dimethoxy-phenol Formula: C19H25N2O5S+ MolecularWeight: 393.4772

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2O5S/c1-25-17-12-15(13-18(26-2)19(17)22)14-20-8-10-21(11-9-20)27(23,24)16-6-4-3-5-7-16/h3-7,12-13,22H,8-11,14H2,1-2H3/p+1