Carbaethopendecine bromide

Properties Image MNX_ID MNXM45485 reference keggD:D07609 formula C21H44BrNO2 global charge 0 mol weight 422.492 InChIKey FXQJFHYFOGHZTB-UHFFFAOYSA-M InChI InChI=1S/C21H44NO2.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(22(3,4)5)21(23)24-7-2;/h20H,6-19H2,1-5H3;1H/q+1;/p-1 SMILES CCCCCCCCCCCCCCC(C(=O)OCC)[N+](C)(C)C.[Br-] MNX internals InChI (mnx) InChI=1/C21H44NO2.BrH/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20(22(3,4)5)21(23)24-7-2;/h20H,6-19H2,1-5H3;1H/q+1;/t20?; SMILES (mnx) [BrH:25].[CH3:1][CH2:6][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH:20]([C:21](=[O:23])[O:24][CH2:7][CH3:2])[N+:22]([CH3:3])([CH3:4])[CH3:5]

Parent-child relations graph

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