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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O5S/c1-26-18-12-17(13-19(27-2)20(18)23)14-21-8-10-22(11-9-21)28(24,25)15-16-6-4-3-5-7-16/h3-7,12-13,23H,8-11,14-15H2,1-2H3/p+1