(4E)-5-(hydroxymethyl)-1,2-dimethyl-4-[(oxidanylamino)methylidene]pyridin-1-ium-3-one iodide

Systemtic Name: (4E)-5-(hydroxymethyl)-1,2-dimethyl-4-[(oxidanylamino)methylidene]pyridin-1-ium-3-one iodide Openeye Name: (4E)-4-[(hydroxyamino)methylene]-5-(hydroxymethyl)-1,2-dimethyl-pyridin-1-ium-3-one iodide CAS Name: (4E)-4-[(hydroxyamino)methylidene]-5-(hydroxymethyl)-1,2-dimethyl-3-pyridin-1-iumone iodide IUPAC Name: (4E)-4-[(hydroxyamino)methylidene]-5-(hydroxymethyl)-1,2-dimethylpyridin-1-ium-3-one iodide Traditional Name: (4E)-4-[(hydroxyamino)methylene]-1,2-dimethyl-5-methylol-pyridin-1-ium-3-one iodide Formula: C9H13IN2O3 MolecularWeight: 324.11559

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=CNO)C1=O)CO)C.[I-]

Isomeric SMILES

CC1=[N+](C=C(/C(=C\NO)/C1=O)CO)C.[I-]

InChI

InChI=1S/C9H12N2O3.HI/c1-6-9(13)8(3-10-14)7(5-12)4-11(6)2;/h3-4,12H,5H2,1-2H3,(H-,10,13,14);1H