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

Systemtic Name: 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Openeye Name: 1-(3-furylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium CAS Name: 1-(3-furanylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium IUPAC Name: 1-(furan-3-ylmethyl)-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium Traditional Name: 1-(3-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=COC=C2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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