2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]ethanenitrile

Systemtic Name: 2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]ethanenitrile Openeye Name: 2-[1-(2-benzyloxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-2,2-diphenyl-acetonitrile CAS Name: 2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile IUPAC Name: 2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]acetonitrile Traditional Name: 2-[1-(2-benzoxyethyl)-1-azoniabicyclo[2.2.1]heptan-4-yl]-2,2-diphenyl-acetonitrile Formula: C29H31N2O+ MolecularWeight: 423.56924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCOCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCOCC5=CC=CC=C5

InChI

InChI=1S/C29H31N2O/c30-23-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-18-31(24-28,19-17-28)20-21-32-22-25-10-4-1-5-11-25/h1-15H,16-22,24H2/q+1