6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]methyl]sesamol Formula: C16H19N2O5S2+ MolecularWeight: 383.46246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2O)OCO3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C16H18N2O5S2/c19-13-9-15-14(22-11-23-15)8-12(13)10-17-3-5-18(6-4-17)25(20,21)16-2-1-7-24-16/h1-2,7-9,19H,3-6,10-11H2/p+1