[2-(trifluoromethyl)phenyl]methyl-[[4-[[[2-(trifluoromethyl)phenyl]methylazaniumyl]methyl]-1-bicyclo[2.2.2]octanyl]methyl]azanium dichloride

Systemtic Name: [2-(trifluoromethyl)phenyl]methyl-[[4-[[[2-(trifluoromethyl)phenyl]methylazaniumyl]methyl]-1-bicyclo[2.2.2]octanyl]methyl]azanium dichloride Openeye Name: [2-(trifluoromethyl)phenyl]methyl-[[4-[[[2-(trifluoromethyl)phenyl]methylammonio]methyl]-1-bicyclo[2.2.2]octanyl]methyl]ammonium dichloride CAS Name: [2-(trifluoromethyl)phenyl]methyl-[[4-[[[2-(trifluoromethyl)phenyl]methylammonio]methyl]-1-bicyclo[2.2.2]octanyl]methyl]ammonium dichloride IUPAC Name: [2-(trifluoromethyl)phenyl]methyl-[[4-[[[2-(trifluoromethyl)phenyl]methylazaniumyl]methyl]-1-bicyclo[2.2.2]octanyl]methyl]azanium dichloride Traditional Name: [2-(trifluoromethyl)benzyl]-[[4-[[[2-(trifluoromethyl)benzyl]ammonio]methyl]-1-bicyclo[2.2.2]octanyl]methyl]ammonium dichloride Formula: C26H32Cl2F6N2 MolecularWeight: 557.442099

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC1(CC2)C[NH2+]CC3=CC=CC=C3C(F)(F)F)C[NH2+]CC4=CC=CC=C4C(F)(F)F.[Cl-].[Cl-]

Isomeric SMILES

C1CC2(CCC1(CC2)C[NH2+]CC3=CC=CC=C3C(F)(F)F)C[NH2+]CC4=CC=CC=C4C(F)(F)F.[Cl-].[Cl-]

InChI

InChI=1S/C26H30F6N2.2ClH/c27-25(28,29)21-7-3-1-5-19(21)15-33-17-23-9-12-24(13-10-23,14-11-23)18-34-16-20-6-2-4-8-22(20)26(30,31)32;;/h1-8,33-34H,9-18H2;2*1H