sodium 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride iodide

Systemtic Name: sodium 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride iodide Openeye Name: sodium 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol chloride iodide CAS Name: sodium 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol chloride iodide IUPAC Name: sodium 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride iodide Traditional Name: sodium thiamin chloride iodide Formula: C12H17ClIN4NaOS MolecularWeight: 450.70182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Na+].[Cl-].[I-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.[Na+].[Cl-].[I-]

InChI

InChI=1S/C12H17N4OS.ClH.HI.Na/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H;/q+1;;;+1/p-2