2-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-1-yl)ethanenitrile

Systemtic Name: 2-(3-oxidanylidene-1-azoniabicyclo[2.2.2]octan-1-yl)ethanenitrile Openeye Name: 2-(3-oxoquinuclidin-1-ium-1-yl)acetonitrile CAS Name: 2-(3-oxo-1-azoniabicyclo[2.2.2]octan-1-yl)acetonitrile IUPAC Name: 2-(3-oxo-1-azoniabicyclo[2.2.2]octan-1-yl)acetonitrile Traditional Name: 2-(3-ketoquinuclidin-1-ium-1-yl)acetonitrile Formula: C9H13N2O+ MolecularWeight: 165.21232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(=O)C2)CC#N

Isomeric SMILES

C1C[N+]2(CCC1C(=O)C2)CC#N

InChI

InChI=1S/C9H13N2O/c10-3-6-11-4-1-8(2-5-11)9(12)7-11/h8H,1-2,4-7H2/q+1