1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-benzyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(phenylmethyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-benzyl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-benzyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C18H20F3N2O2S+ MolecularWeight: 385.42381

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O2S/c19-18(20,21)16-7-4-8-17(13-16)26(24,25)23-11-9-22(10-12-23)14-15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1