[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(3R)-quinuclidin-1-ium-3-yl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-azoniabicyclo[2.2.2]octan-3-yl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(3R)-quinuclidin-1-ium-3-yl] ester Formula: C17H24NO5+ MolecularWeight: 322.37616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)O[C@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C17H23NO5/c1-20-13-8-12(9-14(21-2)16(13)22-3)17(19)23-15-10-18-6-4-11(15)5-7-18/h8-9,11,15H,4-7,10H2,1-3H3/p+1/t15-/m0/s1