(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate hydrobromide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate hydrobromide Openeye Name: (1-methylquinuclidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate hydrobromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) ester hydrobromide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-hydroxy-2,2-diphenylacetate hydrobromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-methylquinuclidin-1-ium-3-yl) ester hydrobromide Formula: C22H27BrNO3+ MolecularWeight: 433.35868

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Br

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Br

InChI

InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;