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

Systemtic Name: ethyl 2-(3-cyano-3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanoate bromide Openeye Name: ethyl 2-(3-cyano-3-hydroxy-quinuclidin-1-ium-1-yl)acetate bromide CAS Name: 2-(3-cyano-3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(3-cyano-3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)acetate bromide Traditional Name: 2-(3-cyano-3-hydroxy-quinuclidin-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C12H19BrN2O3 MolecularWeight: 319.19486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N2O3.BrH/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;1H/q+1;/p-1