ethyl (2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)-2-cyano-ethanoate

Systemtic Name: ethyl (2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)-2-cyano-ethanoate Openeye Name: ethyl (2E)-2-cyano-2-quinuclidin-1-ium-3-ylidene-acetate CAS Name: (2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2E)-2-(1-azoniabicyclo[2.2.2]octan-3-ylidene)-2-cyanoacetate Traditional Name: (2E)-2-cyano-2-quinuclidin-1-ium-3-ylidene-acetic acid ethyl ester Formula: C12H17N2O2+ MolecularWeight: 221.27558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1C[NH+]2CCC1CC2)C#N

Isomeric SMILES

CCOC(=O)/C(=C\1/C[NH+]2CCC1CC2)/C#N

InChI

InChI=1S/C12H16N2O2/c1-2-16-12(15)10(7-13)11-8-14-5-3-9(11)4-6-14/h9H,2-6,8H2,1H3/p+1/b11-10-