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

Systemtic Name: (1-octyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate bromide Openeye Name: (1-octylquinuclidin-1-ium-3-yl) acetate bromide CAS Name: acetic acid (1-octyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-octyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate bromide Traditional Name: acetic acid (1-octylquinuclidin-1-ium-3-yl) ester bromide Formula: C17H32BrNO2 MolecularWeight: 362.34548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32NO2.BrH/c1-3-4-5-6-7-8-11-18-12-9-16(10-13-18)17(14-18)20-15(2)19;/h16-17H,3-14H2,1-2H3;1H/q+1;/p-1