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

Systemtic Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-phenylpropanoate Openeye Name: [(3S)-quinuclidin-1-ium-3-yl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3S)-1-azoniabicyclo[2.2.2]octan-3-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(3S)-quinuclidin-1-ium-3-yl] ester Formula: C16H22NO2+ MolecularWeight: 260.35138

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(C2)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]2CCC1[C@@H](C2)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C16H21NO2/c18-16(7-6-13-4-2-1-3-5-13)19-15-12-17-10-8-14(15)9-11-17/h1-5,14-15H,6-12H2/p+1/t15-/m1/s1