1-azoniabicyclo[2.2.2]octane-1-carbonitrile benzoate

Systemtic Name: 1-azoniabicyclo[2.2.2]octane-1-carbonitrile benzoate Openeye Name: quinuclidin-1-ium-1-carbonitrile benzoate CAS Name: 1-azoniabicyclo[2.2.2]octane-1-carbonitrile benzoate IUPAC Name: 1-azoniabicyclo[2.2.2]octane-1-carbonitrile benzoate Traditional Name: quinuclidin-1-ium-1-carbonitrile benzoate Formula: C15H18N2O2 MolecularWeight: 258.31562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)C#N.C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C1C[N+]2(CCC1CC2)C#N.C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C8H13N2.C7H6O2/c9-7-10-4-1-8(2-5-10)3-6-10;8-7(9)6-4-2-1-3-5-6/h8H,1-6H2;1-5H,(H,8,9)/q+1;/p-1