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

Systemtic Name: 2-[1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[1-(4-phenoxybutyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile CAS Name: 2-[1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenylacetonitrile IUPAC Name: 2-[1-(4-phenoxybutyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenylacetonitrile Traditional Name: 2-[1-(4-phenoxybutyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile Formula: C31H35N2O+ MolecularWeight: 451.6224

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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)CCCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCCCOC5=CC=CC=C5

InChI

InChI=1S/C31H35N2O/c32-26-31(27-12-4-1-5-13-27,28-14-6-2-7-15-28)30-18-22-33(23-19-30,24-20-30)21-10-11-25-34-29-16-8-3-9-17-29/h1-9,12-17H,10-11,18-25H2/q+1