oxythiamine chloride

Properties Image MNX_ID MNXM159159 reference chebi:78246 formula C12H16ClN3O2S global charge 0 mol weight 301.799 InChIKey RNUAEUWXRHCGKX-UHFFFAOYSA-N InChI InChI=1S/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H SMILES CC1=NC(O)=C(C[N+]2=CSC(CCO)=C2C)C=N1.[Cl-] MNX internals InChI (mnx) InChI=1/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H SMILES (mnx) [CH3:1][C:8]1=[C:11]([CH2:3][CH2:4][OH:16])[S:18][CH:7]=[N+:15]1[CH2:6][C:10]1=[CH:5][N:13]=[C:9]([CH3:2])[N:14]=[C:12]1[O-:17].[ClH:19]

Parent-child relations graph

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