3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol

Systemtic Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Openeye Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol CAS Name: 3-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-2-dibenzofuranol IUPAC Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Traditional Name: 3-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]dibenzofuran-2-ol Formula: C24H22F3N2O2+ MolecularWeight: 427.43889

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)C5=CC=CC(=C5)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C3C4=CC=CC=C4OC3=C2)O)C5=CC=CC(=C5)C(F)(F)F

InChI

InChI=1S/C24H21F3N2O2/c25-24(26,27)17-4-3-5-18(13-17)29-10-8-28(9-11-29)15-16-12-23-20(14-21(16)30)19-6-1-2-7-22(19)31-23/h1-7,12-14,30H,8-11,15H2/p+1