cyclodecyl-dimethyl-[6-(trifluoromethyl)dibenzofuran-3-yl]oxy-azanium; ethane; bromide

Systemtic Name: cyclodecyl-dimethyl-[6-(trifluoromethyl)dibenzofuran-3-yl]oxy-azanium; ethane; bromide Openeye Name: cyclodecyl-dimethyl-[6-(trifluoromethyl)dibenzofuran-3-yl]oxy-ammonium; ethane; bromide CAS Name: cyclodecyl-dimethyl-[[6-(trifluoromethyl)-3-dibenzofuranyl]oxy]ammonium; ethane; bromide IUPAC Name: cyclodecyl-dimethyl-[6-(trifluoromethyl)dibenzofuran-3-yl]oxyazanium; ethane; bromide Traditional Name: cyclodecyl-dimethyl-[6-(trifluoromethyl)dibenzofuran-3-yl]oxy-ammonium; ethane; bromide Formula: C27H37BrF3NO2 MolecularWeight: 544.48739

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Descriptors Computed from Structure

Canonical SMILES:

CC.C[N+](C)(C1CCCCCCCCC1)OC2=CC3=C(C=C2)C4=C(O3)C(=CC=C4)C(F)(F)F.[Br-]

Isomeric SMILES

CC.C[N+](C)(C1CCCCCCCCC1)OC2=CC3=C(C=C2)C4=C(O3)C(=CC=C4)C(F)(F)F.[Br-]

InChI

InChI=1S/C25H31F3NO2.C2H6.BrH/c1-29(2,18-11-8-6-4-3-5-7-9-12-18)31-19-15-16-20-21-13-10-14-22(25(26,27)28)24(21)30-23(20)17-19;1-2;/h10,13-18H,3-9,11-12H2,1-2H3;1-2H3;1H/q+1;;/p-1