ethyl 2-(3-cyano-3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-cyano-3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate Openeye Name: ethyl 2-(3-cyano-3-hydroxy-quinuclidin-1-ium-1-yl)acetate CAS Name: 2-(3-cyano-3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)acetate Traditional Name: 2-(3-cyano-3-hydroxy-quinuclidin-1-ium-1-yl)acetic acid ethyl ester Formula: C12H19N2O3+ MolecularWeight: 239.29086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]12CCC(CC1)C(C2)(C#N)O

Isomeric SMILES

CCOC(=O)C[N+]12CCC(CC1)C(C2)(C#N)O

InChI

InChI=1S/C12H19N2O3/c1-2-17-11(15)7-14-5-3-10(4-6-14)12(16,8-13)9-14/h10,16H,2-7,9H2,1H3/q+1