Platydesminium

Properties Image MNX_ID MNXM129791 reference chebi:174620 formula C16H20NO3 global charge 1 mol weight 274.34 InChIKey HXSFUGOHWOKESA-UHFFFAOYSA-N InChI InChI=1S/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1 SMILES COC1=C2C=CC=CC2=[N+](C)C2=C1CC(C(C)(C)O)O2 MNX internals InChI (mnx) InChI=1/C16H20NO3/c1-16(2,18)13-9-11-14(19-4)10-7-5-6-8-12(10)17(3)15(11)20-13/h5-8,13,18H,9H2,1-4H3/q+1/t13? SMILES (mnx) [CH3:1][C:16]([CH3:2])([CH:13]1[CH2:9][C:11]2=[C:14]([O:19][CH3:4])[C:10]3=[CH:7][CH:5]=[CH:6][CH:8]=[C:12]3[N:17]([CH3:3])[C:15]2=[O+:20]1)[OH:18]

Parent-child relations graph

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