penotonium bromide

Properties Image MNX_ID MNXM129119 reference chebi:59067 formula C23H32BrNO2 global charge 0 mol weight 434.418 InChIKey XYNTWLNZQXOKPR-UHFFFAOYSA-M InChI InChI=1S/C23H32NO2.BrH/c1-4-17-24(5-2,6-3)18-19-26-23(25)22(20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,22H,4-6,17-19H2,1-3H3;1H/q+1;/p-1 SMILES CCC[N+](CC)(CC)CCOC(=O)C(C1=CC=CC=C1)C1=CC=CC=C1.[Br-] MNX internals InChI (mnx) InChI=1/C23H32NO2.BrH/c1-4-17-24(5-2,6-3)18-19-26-23(25)22(20-13-9-7-10-14-20)21-15-11-8-12-16-21;/h7-16,22H,4-6,17-19H2,1-3H3;1H/q+1; SMILES (mnx) [BrH:27].[CH3:1][CH2:4][CH2:17][N+:24]([CH2:5][CH3:2])([CH2:6][CH3:3])[CH2:18][CH2:19][O:26][C:23]([CH:22]([C:20]1=[CH:13][CH:9]=[CH:7][CH:10]=[CH:14]1)[C:21]1=[CH:15][CH:11]=[CH:8][CH:12]=[CH:16]1)=[O:25]

Parent-child relations graph

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