Mepenzolate bromide

Properties Image MNX_ID MNXM157803 reference chebi:6753 formula C21H26BrNO3 global charge 0 mol weight 420.347 InChIKey JRRNZNSGDSFFIR-UHFFFAOYSA-M InChI InChI=1S/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/p-1 SMILES C[N+]1(C)CCCC(OC(=O)C(O)(C2=CC=CC=C2)C2=CC=CC=C2)C1.[Br-] MNX internals InChI (mnx) InChI=1/C21H26NO3.BrH/c1-22(2)15-9-14-19(16-22)25-20(23)21(24,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3-8,10-13,19,24H,9,14-16H2,1-2H3;1H/q+1;/t19?; SMILES (mnx) [BrH:26].[CH3:1][N+:22]1([CH3:2])[CH2:15][CH2:9][CH2:14][CH:19]([O:25][C:20]([C:21]([C:17]2=[CH:10][CH:5]=[CH:3][CH:6]=[CH:11]2)([C:18]2=[CH:12][CH:7]=[CH:4][CH:8]=[CH:13]2)[OH:24])=[O:23])[CH2:16]1

Parent-child relations graph

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