1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C12H16F3N2O2S+ MolecularWeight: 309.32785

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C12H15F3N2O2S/c1-16-6-8-17(9-7-16)20(18,19)11-5-3-2-4-10(11)12(13,14)15/h2-5H,6-9H2,1H3/p+1