6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[(E)-styryl]sulfonylpiperazin-1-ium-1-yl]methyl]sesamol Formula: C20H23N2O5S+ MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C20H22N2O5S/c23-18-13-20-19(26-15-27-20)12-17(18)14-21-7-9-22(10-8-21)28(24,25)11-6-16-4-2-1-3-5-16/h1-6,11-13,23H,7-10,14-15H2/p+1/b11-6+