6-bromoharminium(1+)

Properties Image MNX_ID MNXM118380 reference chebi:72480 formula C13H12BrN2O global charge 1 mol weight 292.156 InChIKey YRYJSDPQWKIQRL-UHFFFAOYSA-O InChI InChI=1S/C13H11BrN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3/p+1 SMILES COC1=CC2=C(C=C1Br)C1=C(N2)C(C)=[NH+]C=C1 MNX internals InChI (mnx) InChI=1/C13H11BrN2O/c1-7-13-8(3-4-15-7)9-5-10(14)12(17-2)6-11(9)16-13/h3-6,16H,1-2H3 SMILES (mnx) [CH3:1][C:7]1=[N:15][CH:4]=[CH:3][C:8]2=[C:13]1[NH:16][C:11]1=[CH:6][C:12]([O:17][CH3:2])=[C:10]([Br:14])[CH:5]=[C:9]21

Parent-child relations graph

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