1-[4-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-5-yl]ethanone iodide

Systemtic Name: 1-[4-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-5-yl]ethanone iodide Openeye Name: 1-[4-methyl-2-(1-methylpyridin-1-ium-4-yl)thiazol-5-yl]ethanone iodide CAS Name: 1-[4-methyl-2-(1-methyl-4-pyridin-1-iumyl)-5-thiazolyl]ethanone iodide IUPAC Name: 1-[4-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-thiazol-5-yl]ethanone iodide Traditional Name: 1-[4-methyl-2-(1-methylpyridin-1-ium-4-yl)thiazol-5-yl]ethanone iodide Formula: C12H13IN2OS MolecularWeight: 360.21389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=[N+](C=C2)C)C(=O)C.[I-]

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=[N+](C=C2)C)C(=O)C.[I-]

InChI

InChI=1S/C12H13N2OS.HI/c1-8-11(9(2)15)16-12(13-8)10-4-6-14(3)7-5-10;/h4-7H,1-3H3;1H/q+1;/p-1