(2R,3S)-glycopyrronium bromide

Properties Image MNX_ID MNXM170845 reference chebi:90974 formula C19H28BrNO3 global charge 0 mol weight 398.341 InChIKey VPNYRYCIDCJBOM-QQTWVUFVSA-M InChI InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1/t17-,19-;/m0./s1 SMILES C[N+]1(C)CC[C@H](OC(=O)[C@](O)(C2=CC=CC=C2)C2CCCC2)C1.[Br-] MNX internals InChI (mnx) InChI=1/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/t17-,19-;/m0./s1 SMILES (mnx) [BrH:24].[CH3:1][N+:20]1([CH3:2])[CH2:13][CH2:12][C@H:17]([O:23][C:18]([C@:19]([C:15]2=[CH:8][CH:4]=[CH:3][CH:5]=[CH:9]2)([CH:16]2[CH2:10][CH2:6][CH2:7][CH2:11]2)[OH:22])=[O:21])[CH2:14]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0