6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-indan-5-ylsulfonylpiperazin-1-ium-1-yl)methyl]sesamol Formula: C21H25N2O5S+ MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4O)OCO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4O)OCO5

InChI

InChI=1S/C21H24N2O5S/c24-19-12-21-20(27-14-28-21)11-17(19)13-22-6-8-23(9-7-22)29(25,26)18-5-4-15-2-1-3-16(15)10-18/h4-5,10-12,24H,1-3,6-9,13-14H2/p+1