(1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-methyl-1-azoniabicyclo[2.2.1]heptan-4-yl) ester bromide Formula: C21H24BrNO3 MolecularWeight: 418.32416

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(C1)(CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

Isomeric SMILES

C[N+]12CCC(C1)(CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-]

InChI

InChI=1S/C21H24NO3.BrH/c1-22-14-12-20(16-22,13-15-22)25-19(23)21(24,17-8-4-2-5-9-17)18-10-6-3-7-11-18;/h2-11,24H,12-16H2,1H3;1H/q+1;/p-1