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

Systemtic Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate Openeye Name: (1-phenethylquinuclidin-1-ium-3-yl) acetate CAS Name: acetic acid (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-phenethyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate Traditional Name: acetic acid (1-phenethylquinuclidin-1-ium-3-yl) ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C17H24NO2/c1-14(19)20-17-13-18(11-8-16(17)9-12-18)10-7-15-5-3-2-4-6-15/h2-6,16-17H,7-13H2,1H3/q+1