[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-methoxybenzoate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-methoxybenzoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C15H20NO3+ MolecularWeight: 262.3242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2C[NH+]3CCC2CC3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)O[C@@H]2C[NH+]3CCC2CC3

InChI

InChI=1S/C15H19NO3/c1-18-13-4-2-12(3-5-13)15(17)19-14-10-16-8-6-11(14)7-9-16/h2-5,11,14H,6-10H2,1H3/p+1/t14-/m1/s1