2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethanol dibromide

Systemtic Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethanol dibromide Openeye Name: 2-(4-methylthiazol-3-ium-5-yl)ethanol dibromide CAS Name: 2-(4-methyl-5-thiazol-3-iumyl)ethanol dibromide IUPAC Name: 2-(4-methyl-1,3-thiazol-3-ium-5-yl)ethanol dibromide Traditional Name: 2-(4-methylthiazol-3-ium-5-yl)ethanol dibromide Formula: C12H20Br2N2O2S2 MolecularWeight: 448.2374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[NH+]1)CCO.CC1=C(SC=[NH+]1)CCO.[Br-].[Br-]

Isomeric SMILES

CC1=C(SC=[NH+]1)CCO.CC1=C(SC=[NH+]1)CCO.[Br-].[Br-]

InChI

InChI=1S/2C6H9NOS.2BrH/c2*1-5-6(2-3-8)9-4-7-5;;/h2*4,8H,2-3H2,1H3;2*1H