(1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide

Systemtic Name: (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate bromide Openeye Name: (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenyl-acetate bromide CAS Name: 2-hydroxy-2,2-diphenylacetic acid (1-ethyl-1-methyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1-ethyl-1-methylpyrrolidin-1-ium-3-yl) 2-hydroxy-2,2-diphenylacetate bromide Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (1-ethyl-1-methyl-pyrrolidin-1-ium-3-yl) ester bromide Formula: C21H26BrNO3 MolecularWeight: 420.34004

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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)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO3.BrH/c1-3-22(2)15-14-19(16-22)25-20(23)21(24,17-10-6-4-7-11-17)18-12-8-5-9-13-18;/h4-13,19,24H,3,14-16H2,1-2H3;1H/q+1;/p-1