1-methyl-4-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-ium

Systemtic Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-ium Openeye Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[[3-(trifluoromethyl)phenyl]methylsulfonyl]piperazin-1-ium Traditional Name: 1-methyl-4-[3-(trifluoromethyl)benzyl]sulfonyl-piperazin-1-ium Formula: C13H18F3N2O2S+ MolecularWeight: 323.35443

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O2S/c1-17-5-7-18(8-6-17)21(19,20)10-11-3-2-4-12(9-11)13(14,15)16/h2-4,9H,5-8,10H2,1H3/p+1