1-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium

Systemtic Name: 1-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(2-furylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(2-furanylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(2-furfuryl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Formula: C16H18F3N2O+ MolecularWeight: 311.32213

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C16H17F3N2O/c17-16(18,19)13-3-1-4-14(11-13)21-8-6-20(7-9-21)12-15-5-2-10-22-15/h1-5,10-11H,6-9,12H2/p+1