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

Systemtic Name: 1-(phenylmethyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-benzylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(phenylmethyl)sulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-benzylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-[2-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C19H22F3N2O2S+ MolecularWeight: 399.45039

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H21F3N2O2S/c20-19(21,22)18-9-5-4-8-17(18)14-23-10-12-24(13-11-23)27(25,26)15-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1