4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-2-oxidanylidene-1,3-thiazole-5-carbaldehyde iodide

Systemtic Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-2-oxidanylidene-1,3-thiazole-5-carbaldehyde iodide Openeye Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-2-oxo-thiazole-5-carbaldehyde iodide CAS Name: 4-(3,5-dimethyl-1-pyridin-1-iumyl)-3-methyl-2-oxo-5-thiazolecarboxaldehyde iodide IUPAC Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-3-methyl-2-oxo-1,3-thiazole-5-carbaldehyde iodide Traditional Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-2-keto-3-methyl-4-thiazoline-5-carbaldehyde iodide Formula: C12H13IN2O2S MolecularWeight: 376.21329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C[N+](=C1)C2=C(SC(=O)N2C)C=O)C.[I-]

Isomeric SMILES

CC1=CC(=C[N+](=C1)C2=C(SC(=O)N2C)C=O)C.[I-]

InChI

InChI=1S/C12H13N2O2S.HI/c1-8-4-9(2)6-14(5-8)11-10(7-15)17-12(16)13(11)3;/h4-7H,1-3H3;1H/q+1;/p-1