2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenyl-ethanenitrile

Systemtic Name: 2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile CAS Name: 2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenylacetonitrile IUPAC Name: 2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenylacetonitrile Traditional Name: 2-[1-(3-phenoxypropyl)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)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCCOC5=CC=CC=C5

InChI

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