(1,1-diethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (1,1-diethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1,1-diethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-diethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1,1-diethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C22H28BrNO3 MolecularWeight: 434.36662

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC.[Br-]

Isomeric SMILES

CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC.[Br-]

InChI

InChI=1S/C22H28NO3.BrH/c1-3-23(4-2)16-15-20(17-23)26-21(24)22(25,18-11-7-5-8-12-18)19-13-9-6-10-14-19;/h5-14,20,25H,3-4,15-17H2,1-2H3;1H/q+1;/p-1