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

Systemtic Name: 6-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]methyl]sesamol Formula: C19H20F3N2O5S+ MolecularWeight: 445.43271

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O5S/c20-19(21,22)14-2-1-3-15(9-14)30(26,27)24-6-4-23(5-7-24)11-13-8-17-18(10-16(13)25)29-12-28-17/h1-3,8-10,25H,4-7,11-12H2/p+1