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

Systemtic Name: (1-octyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate Openeye Name: (1-octylquinuclidin-1-ium-3-yl) acetate CAS Name: acetic acid (1-octyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-octyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate Traditional Name: acetic acid (1-octylquinuclidin-1-ium-3-yl) ester Formula: C17H32NO2+ MolecularWeight: 282.44148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32NO2/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/q+1