2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile bromide

Systemtic Name: 2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile bromide Openeye Name: 2-(1-phenethylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile bromide CAS Name: 2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile bromide IUPAC Name: 2-(1-phenethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile bromide Traditional Name: 2-(1-phenethylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile bromide Formula: C29H31BrN2 MolecularWeight: 487.47384

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCC5=CC=CC=C5.[Br-]

InChI

InChI=1S/C29H31N2.BrH/c30-24-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-17-21-31(22-18-28,23-19-28)20-16-25-10-4-1-5-11-25;/h1-15H,16-23H2;1H/q+1;/p-1