1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-piperonyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C19H20F3N2O4S+ MolecularWeight: 429.43331

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H19F3N2O4S/c20-19(21,22)15-2-1-3-16(11-15)29(25,26)24-8-6-23(7-9-24)12-14-4-5-17-18(10-14)28-13-27-17/h1-5,10-11H,6-9,12-13H2/p+1