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

Systemtic Name: [1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] benzoate Openeye Name: (1-benzylquinuclidin-1-ium-3-yl) benzoate CAS Name: benzoic acid [1-(phenylmethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: (1-benzyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate Traditional Name: benzoic acid (1-benzylquinuclidin-1-ium-3-yl) ester Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[N+]2(CCC1C(C2)OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24NO2/c23-21(19-9-5-2-6-10-19)24-20-16-22(13-11-18(20)12-14-22)15-17-7-3-1-4-8-17/h1-10,18,20H,11-16H2/q+1