[(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(4-methoxyphenoxy)ethanoate

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(4-methoxyphenoxy)ethanoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 2-(4-methoxyphenoxy)acetate CAS Name: 2-(4-methoxyphenoxy)acetic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(4-methoxyphenoxy)acetate Traditional Name: 2-(4-methoxyphenoxy)acetic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-19-13-2-4-14(5-3-13)20-11-16(18)21-15-10-17-8-6-12(15)7-9-17/h2-5,12,15H,6-11H2,1H3/p+1/t15-/m1/s1