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

Systemtic Name: 2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]ethanenitrile Openeye Name: 2-[1-(2-benzyloxyethyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile CAS Name: 2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]acetonitrile IUPAC Name: 2,2-diphenyl-2-[1-(2-phenylmethoxyethyl)-1-azoniabicyclo[2.2.2]octan-4-yl]acetonitrile Traditional Name: 2-[1-(2-benzoxyethyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile Formula: C30H33N2O+ MolecularWeight: 437.59582

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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)CCOCC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCOCC5=CC=CC=C5

InChI

InChI=1S/C30H33N2O/c31-25-30(27-12-6-2-7-13-27,28-14-8-3-9-15-28)29-16-19-32(20-17-29,21-18-29)22-23-33-24-26-10-4-1-5-11-26/h1-15H,16-24H2/q+1