1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylethanoate bromide

Systemtic Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylethanoate bromide Openeye Name: quinuclidin-1-ium-1-ylmethyl 2,2-diphenylacetate bromide CAS Name: 2,2-diphenylacetic acid 1-azoniabicyclo[2.2.2]octan-1-ylmethyl ester bromide IUPAC Name: 1-azoniabicyclo[2.2.2]octan-1-ylmethyl 2,2-diphenylacetate bromide Traditional Name: 2,2-diphenylacetic acid quinuclidin-1-ium-1-ylmethyl ester bromide Formula: C22H26BrNO2 MolecularWeight: 416.35134

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1CC2)COC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C22H26NO2.BrH/c24-22(25-17-23-14-11-18(12-15-23)13-16-23)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;/h1-10,18,21H,11-17H2;1H/q+1;/p-1