(1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-diphenyl-2-(2-phenylmethoxyethoxy)ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-diphenyl-2-(2-phenylmethoxyethoxy)ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-benzyloxyethoxy)-2,2-diphenyl-acetate bromide CAS Name: 2,2-diphenyl-2-(2-phenylmethoxyethoxy)acetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2,2-diphenyl-2-(2-phenylmethoxyethoxy)acetate bromide Traditional Name: 2-(2-benzoxyethoxy)-2,2-diphenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C29H34BrNO4 MolecularWeight: 540.48856

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCOCC4=CC=CC=C4)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCOCC4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C29H34NO4.BrH/c1-30(2)19-18-27(22-30)34-28(31)29(25-14-8-4-9-15-25,26-16-10-5-11-17-26)33-21-20-32-23-24-12-6-3-7-13-24;/h3-17,27H,18-23H2,1-2H3;1H/q+1;/p-1