1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone Openeye Name: 1-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone CAS Name: 1-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-2-[3-(trifluoromethyl)phenoxy]ethanone IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone Traditional Name: 1-[4-(2-furfuryl)piperazin-4-ium-1-yl]-2-[3-(trifluoromethyl)phenoxy]ethanone Formula: C18H20F3N2O3+ MolecularWeight: 369.35821

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)COC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C(=O)COC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H19F3N2O3/c19-18(20,21)14-3-1-4-15(11-14)26-13-17(24)23-8-6-22(7-9-23)12-16-5-2-10-25-16/h1-5,10-11H,6-9,12-13H2/p+1