1-octyl-1-azoniabicyclo[2.2.2]octane ethanoate

Systemtic Name: 1-octyl-1-azoniabicyclo[2.2.2]octane ethanoate Openeye Name: 1-octylquinuclidin-1-ium acetate CAS Name: 1-octyl-1-azoniabicyclo[2.2.2]octane acetate IUPAC Name: 1-octyl-1-azoniabicyclo[2.2.2]octane acetate Traditional Name: 1-octylquinuclidin-1-ium acetate Formula: C17H33NO2 MolecularWeight: 283.44942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]12CCC(CC1)CC2.CC(=O)[O-]

Isomeric SMILES

CCCCCCCC[N+]12CCC(CC1)CC2.CC(=O)[O-]

InChI

InChI=1S/C15H30N.C2H4O2/c1-2-3-4-5-6-7-11-16-12-8-15(9-13-16)10-14-16;1-2(3)4/h15H,2-14H2,1H3;1H3,(H,3,4)/q+1;/p-1