6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]sesamol Formula: C19H23N2O6S+ MolecularWeight: 407.46072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C19H22N2O6S/c1-25-15-2-4-16(5-3-15)28(23,24)21-8-6-20(7-9-21)12-14-10-18-19(11-17(14)22)27-13-26-18/h2-5,10-11,22H,6-9,12-13H2,1H3/p+1