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

Systemtic Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-oxidanylpropoxy)-2,2-diphenyl-ethanoate bromide Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-hydroxypropoxy)-2,2-diphenyl-acetate bromide CAS Name: 2-(3-hydroxypropoxy)-2,2-diphenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-(3-hydroxypropoxy)-2,2-diphenylacetate bromide Traditional Name: 2-(3-hydroxypropoxy)-2,2-diphenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester bromide Formula: C23H30BrNO4 MolecularWeight: 464.3926

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=CC=C3)OCCCO)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO4.BrH/c1-24(2)15-14-21(18-24)28-22(26)23(27-17-9-16-25,19-10-5-3-6-11-19)20-12-7-4-8-13-20;/h3-8,10-13,21,25H,9,14-18H2,1-2H3;1H/q+1;/p-1