Analyte Name

N-Butylscopolammonium Bromide

CAS Number

150521-07-6

Molecular Formula

C21 H30 N O4 . Br

Molecular Weight

440.371

Accurate Mass

439.136

SMILES

[Br-].CCCC[N@+]1(C)[C@@H]2C[C@H](C[C@H]1[C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4

InChI

InChI=1S/C21H30NO4.BrH/c1-3-4-10-22(2)17-11-15(12-18(22)20-19(17)26-20)25-21(24)16(13-23)14-8-6-5-7-9-14;/h5-9,15-20,23H,3-4,10-13H2,1-2H3;1H/q+1;/p-1/t15-,16-,17-,18+,19-,20+,22-;/m1./s1

IUPAC

(1R,2R,4S,5S,7s,9S)-9-butyl-7-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-9-ium bromide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat