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

Systemtic Name: (1-hexadecyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate Openeye Name: (1-hexadecylquinuclidin-1-ium-3-yl) acetate CAS Name: acetic acid (1-hexadecyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-hexadecyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate Traditional Name: acetic acid (1-cetylquinuclidin-1-ium-3-yl) ester Formula: C25H48NO2+ MolecularWeight: 394.65412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H48NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-20-17-24(18-21-26)25(22-26)28-23(2)27/h24-25H,3-22H2,1-2H3/q+1