Analyte Name

(S)-3-((R)-2-(4-Chlorophenyl)-2-cyclopentyl-2-hydroxyacetoxy)-1,1-dimethylpyrrolidin-1-ium Bromide-13C,D3

Molecular Formula

13C C18 D3 H24 Cl N O3 . Br

Molecular Weight

436.791

Accurate Mass

435.108

SMILES

[Br-].[2H][13C]([2H])([2H])[N+]1(C)CC[C@@H](C1)OC(=O)[C@@](O)(C2CCCC2)c3ccc(Cl)cc3

InChI

InChI=1S/C19H27ClNO3.BrH/c1-21(2)12-11-17(13-21)24-18(22)19(23,14-5-3-4-6-14)15-7-9-16(20)10-8-15;/h7-10,14,17,23H,3-6,11-13H2,1-2H3;1H/q+1;/p-1/t17-,19+;/m0./s1/i1+1D3;/t17-,19+,21?;

IUPAC

[(3S)-1-methyl-1-(trideuterio(113C)methyl)pyrrolidin-1-ium-3-yl] (2R)-2-(4-chlorophenyl)-2-cyclopentyl-2-hydroxyacetate;bromide

SIL Type

Deuterium, Carbon

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat