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

Systemtic Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate Openeye Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate CAS Name: 4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]benzoate IUPAC Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate Traditional Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]benzoate Formula: C19H19F3N2O2 MolecularWeight: 364.36157

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O2/c20-19(21,22)16-2-1-3-17(12-16)24-10-8-23(9-11-24)13-14-4-6-15(7-5-14)18(25)26/h1-7,12H,8-11,13H2,(H,25,26)