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

Systemtic Name: 2-(1-ethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenyl-ethanenitrile bromide Openeye Name: 2-(1-ethylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile bromide CAS Name: 2-(1-ethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile bromide IUPAC Name: 2-(1-ethyl-1-azoniabicyclo[2.2.2]octan-4-yl)-2,2-diphenylacetonitrile bromide Traditional Name: 2-(1-ethylquinuclidin-1-ium-4-yl)-2,2-diphenyl-acetonitrile bromide Formula: C23H27BrN2 MolecularWeight: 411.37788

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]12CCC(CC1)(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CC[N+]12CCC(CC1)(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H27N2.BrH/c1-2-25-16-13-22(14-17-25,15-18-25)23(19-24,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12H,2,13-18H2,1H3;1H/q+1;/p-1