(1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate bromide

Systemtic Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate bromide Openeye Name: (1-butylquinuclidin-1-ium-3-yl) acetate bromide CAS Name: acetic acid (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate bromide Traditional Name: acetic acid (1-butylquinuclidin-1-ium-3-yl) ester bromide Formula: C13H24BrNO2 MolecularWeight: 306.23916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24NO2.BrH/c1-3-4-7-14-8-5-12(6-9-14)13(10-14)16-11(2)15;/h12-13H,3-10H2,1-2H3;1H/q+1;/p-1