[1-azoniabicyclo[2.2.2]octan-1-yl(phenyl)methyl] benzoate

Systemtic Name: [1-azoniabicyclo[2.2.2]octan-1-yl(phenyl)methyl] benzoate Openeye Name: [phenyl(quinuclidin-1-ium-1-yl)methyl] benzoate CAS Name: benzoic acid [1-azoniabicyclo[2.2.2]octan-1-yl(phenyl)methyl] ester IUPAC Name: [1-azoniabicyclo[2.2.2]octan-1-yl(phenyl)methyl] benzoate Traditional Name: benzoic acid [phenyl(quinuclidin-1-ium-1-yl)methyl] ester Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[N+]2(CCC1CC2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

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