(2S)-2-(phenoxymethyl)-1-azoniabicyclo[2.2.2]octan-3-one

Systemtic Name: (2S)-2-(phenoxymethyl)-1-azoniabicyclo[2.2.2]octan-3-one Openeye Name: (2S)-2-(phenoxymethyl)quinuclidin-1-ium-3-one CAS Name: (2S)-2-(phenoxymethyl)-1-azoniabicyclo[2.2.2]octan-3-one IUPAC Name: (2S)-2-(phenoxymethyl)-1-azoniabicyclo[2.2.2]octan-3-one Traditional Name: (2S)-2-(phenoxymethyl)quinuclidin-1-ium-3-one Formula: C14H18NO2+ MolecularWeight: 232.29822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]2CCC1C(=O)C2COC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]2CCC1C(=O)[C@@H]2COC3=CC=CC=C3

InChI

InChI=1S/C14H17NO2/c16-14-11-6-8-15(9-7-11)13(14)10-17-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/p+1/t13-/m0/s1