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

Systemtic Name: [1-(diphenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: (1-benzhydrylquinuclidin-1-ium-3-yl) acetate CAS Name: acetic acid [1-(diphenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: (1-benzhydryl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate Traditional Name: acetic acid (1-benzhydrylquinuclidin-1-ium-3-yl) ester Formula: C22H26NO2+ MolecularWeight: 336.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H26NO2/c1-17(24)25-21-16-23(14-12-18(21)13-15-23)22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,18,21-22H,12-16H2,1H3/q+1