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

Systemtic Name: 6-[[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[(4-benzylsulfonylpiperazin-1-ium-1-yl)methyl]sesamol Formula: C19H23N2O5S+ MolecularWeight: 391.46132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O5S/c22-17-11-19-18(25-14-26-19)10-16(17)12-20-6-8-21(9-7-20)27(23,24)13-15-4-2-1-3-5-15/h1-5,10-11,22H,6-9,12-14H2/p+1