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

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate bromide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate bromide CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate bromide Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-methylquinuclidin-1-ium-3-yl) ester bromide Formula: C21H30BrNO3 MolecularWeight: 424.3718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3CCCC3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C21H30NO3.BrH/c1-22-13-11-16(12-14-22)19(15-22)25-20(23)21(24,18-9-5-6-10-18)17-7-3-2-4-8-17;/h2-4,7-8,16,18-19,24H,5-6,9-15H2,1H3;1H/q+1;/p-1