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

Systemtic Name: 6-[[4-(phenylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(benzenesulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-besylpiperazin-1-ium-1-yl)methyl]sesamol Formula: C18H21N2O5S+ MolecularWeight: 377.43474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c21-16-11-18-17(24-13-25-18)10-14(16)12-19-6-8-20(9-7-19)26(22,23)15-4-2-1-3-5-15/h1-5,10-11,21H,6-9,12-13H2/p+1