(3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl 2-cyclopentyl-2-phenyl-ethanoate

Systemtic Name: (3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl 2-cyclopentyl-2-phenyl-ethanoate Openeye Name: (3-acetoxyquinuclidin-1-ium-1-yl)methyl 2-cyclopentyl-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-phenylacetic acid (3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl ester IUPAC Name: (3-acetyloxy-1-azoniabicyclo[2.2.2]octan-1-yl)methyl 2-cyclopentyl-2-phenylacetate Traditional Name: 2-cyclopentyl-2-phenyl-acetic acid (3-acetoxyquinuclidin-1-ium-1-yl)methyl ester Formula: C23H32NO4+ MolecularWeight: 386.50448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1CC2)COC(=O)C(C3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1CC2)COC(=O)C(C3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C23H32NO4/c1-17(25)28-21-15-24(13-11-18(21)12-14-24)16-27-23(26)22(20-9-5-6-10-20)19-7-3-2-4-8-19/h2-4,7-8,18,20-22H,5-6,9-16H2,1H3/q+1