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

Systemtic Name: [1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: (1-benzylquinuclidin-1-ium-3-yl) acetate CAS Name: acetic acid [1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: (1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate Traditional Name: acetic acid (1-benzylquinuclidin-1-ium-3-yl) ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H22NO2/c1-13(18)19-16-12-17(9-7-15(16)8-10-17)11-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3/q+1