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

Systemtic Name: 1-(furan-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-(2-furylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-(2-furanylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(2-furfuryl)-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C17H20F3N2O+ MolecularWeight: 325.34871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H19F3N2O/c18-17(19,20)16-6-2-1-4-14(16)12-21-7-9-22(10-8-21)13-15-5-3-11-23-15/h1-6,11H,7-10,12-13H2/p+1