[(3R,4R,5S)-5-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate

Systemtic Name: [(3R,4R,5S)-5-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl] ethanoate Openeye Name: [(3R,4R,5S)-5-phenylquinuclidin-1-ium-3-yl] acetate CAS Name: acetic acid [(3R,4R,5S)-5-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R,4R,5S)-5-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl] acetate Traditional Name: acetic acid [(3R,4R,5S)-5-phenylquinuclidin-1-ium-3-yl] ester Formula: C15H20NO2+ MolecularWeight: 246.3248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[NH+]2CCC1C(C2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)O[C@H]1C[NH+]2CC[C@@H]1[C@H](C2)C3=CC=CC=C3

InChI

InChI=1S/C15H19NO2/c1-11(17)18-15-10-16-8-7-13(15)14(9-16)12-5-3-2-4-6-12/h2-6,13-15H,7-10H2,1H3/p+1/t13-,14-,15+/m1/s1