Caffeine hydrobromide

Molecular Formula: C₈H₁₁BrN₄O₂

InChI: InChI=1/C8H10N4O2.BrH/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;/h4H,1-3H3;1H/fC8H11N4O2.Br/h10H;1h/q+1;-1

InChIKey: InChIKey=XXSSHQCOBPQFOL-CJCIAZTFCK
SMILES: C[NH+]1C=NC2=C1C(=O)N(C(=O)N2C)C.[Br-]

Names:
    Caffeine bromide
    Caffeine hydrobromide
    CAFFEINE, MONOHYDROBROMIDE
    EINECS 227-258-9
    1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-, monohydrobromide (9CI)
    1,3,7-trimethylpurine-2,6-dione bromide
    3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione, monohydrobromide
    5743-18-0

Registries:
    PubChem CID 21966
    PubChem ID 164669