(2Z)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethanenitrile

Systemtic Name: (2Z)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)ethanenitrile Openeye Name: (2Z)-2-quinuclidin-1-ium-3-ylideneacetonitrile CAS Name: (2Z)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)acetonitrile IUPAC Name: (2Z)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)acetonitrile Traditional Name: (2Z)-2-quinuclidin-1-ium-3-ylideneacetonitrile Formula: C9H13N2+ MolecularWeight: 149.21292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[NH+]2CCC1/C(=C/C#N)/C2

InChI

InChI=1S/C9H12N2/c10-4-1-9-7-11-5-2-8(9)3-6-11/h1,8H,2-3,5-7H2/p+1/b9-1+