Thiamin acetic acid

Molecular Formula: C₁₂H₁₅N₄O₂S⁺

InChI: InChI=1/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)/p+1/fC12H15N4O2S/h17H,13H2/q+1

InChIKey: InChIKey=QNGQHEBFAUOYHC-PBMGBCJKCI
SMILES: Cc1ncc(C[n+]2csc(CC(O)=O)c2C)c(N)n1

Names:
    Thiamine acetic acid
    thiamine acetic acid
    Thiamin acetic acid
    2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid

Registries:
    PubChem CID 439838
    ChEBI 18306
    Kegg C02892
    PubChem ID 4825371
    PubChem ID 5821