6-[[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[2,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(2,4-difluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2,4-difluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]sesamol Formula: C18H19F2N2O5S+ MolecularWeight: 413.415666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F2N2O5S/c19-13-1-2-18(14(20)8-13)28(24,25)22-5-3-21(4-6-22)10-12-7-16-17(9-15(12)23)27-11-26-16/h1-2,7-9,23H,3-6,10-11H2/p+1