(1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate bromide

Systemtic Name: (1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) ethanoate bromide Openeye Name: (1-methyl-4-phenyl-quinuclidin-1-ium-3-yl) acetate bromide CAS Name: acetic acid (1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-methyl-4-phenyl-1-azoniabicyclo[2.2.2]octan-3-yl) acetate bromide Traditional Name: acetic acid (1-methyl-4-phenyl-quinuclidin-1-ium-3-yl) ester bromide Formula: C16H22BrNO2 MolecularWeight: 340.25538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C[N+]2(CCC1(CC2)C3=CC=CC=C3)C.[Br-]

Isomeric SMILES

CC(=O)OC1C[N+]2(CCC1(CC2)C3=CC=CC=C3)C.[Br-]

InChI

InChI=1S/C16H22NO2.BrH/c1-13(18)19-15-12-17(2)10-8-16(15,9-11-17)14-6-4-3-5-7-14;/h3-7,15H,8-12H2,1-2H3;1H/q+1;/p-1