(1,1-dimethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-oxidanyl-2-phenyl-2-thiophen-2-yl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-(2-thienyl)acetate bromide CAS Name: 2-hydroxy-2-phenyl-2-thiophen-2-ylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate bromide Traditional Name: 2-hydroxy-2-phenyl-2-(2-thienyl)acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C18H22BrNO3S MolecularWeight: 412.34118

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=CS3)O)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O)C.[Br-]

InChI

InChI=1S/C18H22NO3S.BrH/c1-19(2)11-10-15(13-19)22-17(20)18(21,16-9-6-12-23-16)14-7-4-3-5-8-14;/h3-9,12,15,21H,10-11,13H2,1-2H3;1H/q+1;/p-1