piroctone olamine

Properties Image MNX_ID MNXM129759 reference chebi:59008 formula C16H30N2O3 global charge 0 mol weight 298.427 InChIKey GHPFVSRTGHIHCD-UHFFFAOYSA-O InChI InChI=1S/C14H22NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11H,7,9H2,1-5H3;4H,1-3H2/q-1;/p+1 SMILES CC1=CC(=O)N([O-])C(CC(C)CC(C)(C)C)=C1.[NH3+]CCO MNX internals InChI (mnx) InChI=1/C14H22NO2.C2H7NO/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5;3-1-2-4/h6,8,11H,7,9H2,1-5H3;4H,1-3H2/q-1;/t11?; SMILES (mnx) [CH2:18]([CH2:19][OH:21])[NH2:20].[CH3:1][C:10]1=[CH:8][C:13](=[O:16])[N:15]([O-:17])[C:12]([CH2:7][CH:11]([CH3:2])[CH2:9][C:14]([CH3:3])([CH3:4])[CH3:5])=[CH:6]1

Parent-child relations graph

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