tert-butyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoate bromide

Systemtic Name: tert-butyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)ethanoate bromide Openeye Name: tert-butyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetate bromide CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetic acid tert-butyl ester bromide IUPAC Name: tert-butyl 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetate bromide Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)acetic acid tert-butyl ester bromide Formula: C12H23BrN2O2 MolecularWeight: 307.22722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+]12CCN(CC1)CC2.[Br-]

Isomeric SMILES

CC(C)(C)OC(=O)C[N+]12CCN(CC1)CC2.[Br-]

InChI

InChI=1S/C12H23N2O2.BrH/c1-12(2,3)16-11(15)10-14-7-4-13(5-8-14)6-9-14;/h4-10H2,1-3H3;1H/q+1;/p-1