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

Systemtic Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate Openeye Name: (1-butylquinuclidin-1-ium-3-yl) benzoate CAS Name: benzoic acid (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester IUPAC Name: (1-butyl-1-azoniabicyclo[2.2.2]octan-3-yl) benzoate Traditional Name: benzoic acid (1-butylquinuclidin-1-ium-3-yl) ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC[N+]12CCC(CC1)C(C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H26NO2/c1-2-3-11-19-12-9-15(10-13-19)17(14-19)21-18(20)16-7-5-4-6-8-16/h4-8,15,17H,2-3,9-14H2,1H3/q+1