(1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylethanoate bromide

Systemtic Name: (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylethanoate bromide Openeye Name: (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide CAS Name: 2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) ester bromide IUPAC Name: (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) 2,2-diphenylacetate bromide Traditional Name: 2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[3.2.1]octan-6-yl) ester bromide Formula: C22H26BrNO2 MolecularWeight: 416.35134

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCCC(C1)C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C[N+]12CCCC(C1)C(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H26NO2.BrH/c1-23-14-8-13-19(15-23)20(16-23)25-22(24)21(17-9-4-2-5-10-17)18-11-6-3-7-12-18;/h2-7,9-12,19-21H,8,13-16H2,1H3;1H/q+1;/p-1