(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(furan-2-yl)-2-(2-hydroxyethyloxy)-2-phenyl-ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(furan-2-yl)-2-(2-hydroxyethyloxy)-2-phenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(2-furyl)-2-(2-hydroxyethoxy)-2-phenyl-acetate bromide CAS Name: 2-(2-furanyl)-2-(2-hydroxyethoxy)-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(furan-2-yl)-2-(2-hydroxyethoxy)-2-phenylacetate bromide Traditional Name: 2-(2-furyl)-2-(2-hydroxyethoxy)-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C20H26BrNO5 MolecularWeight: 440.32814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CO3)OCCO)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CO3)OCCO)C.[Br-]

InChI

InChI=1S/C20H26NO5.BrH/c1-21(2)11-10-17(15-21)26-19(23)20(25-14-12-22,18-9-6-13-24-18)16-7-4-3-5-8-16;/h3-9,13,17,22H,10-12,14-15H2,1-2H3;1H/q+1;/p-1