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

Systemtic Name: 2-[1-(3-oxidanylpropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenyl-ethanenitrile Openeye Name: 2-[1-(3-hydroxypropyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile CAS Name: 2-[1-(3-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenylacetonitrile IUPAC Name: 2-[1-(3-hydroxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-diphenylacetonitrile Traditional Name: 2-[1-(3-hydroxypropyl)quinuclidin-1-ium-4-yl]-2,2-diphenyl-acetonitrile Formula: C24H29N2O+ MolecularWeight: 361.49986

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C24H29N2O/c25-20-24(21-8-3-1-4-9-21,22-10-5-2-6-11-22)23-12-16-26(17-13-23,18-14-23)15-7-19-27/h1-6,8-11,27H,7,12-19H2/q+1