1-(5-methyl-2-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide

Systemtic Name: 1-(5-methyl-2-oxidanyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide Openeye Name: 1-(2-hydroxy-5-methyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide CAS Name: 1-(2-hydroxy-5-methylphenyl)-2-(1-pyridin-1-iumyl)ethanone iodide IUPAC Name: 1-(2-hydroxy-5-methylphenyl)-2-pyridin-1-ium-1-ylethanone iodide Traditional Name: 1-(2-hydroxy-5-methyl-phenyl)-2-pyridin-1-ium-1-yl-ethanone iodide Formula: C14H14INO2 MolecularWeight: 355.17093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)C[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)C[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C14H13NO2.HI/c1-11-5-6-13(16)12(9-11)14(17)10-15-7-3-2-4-8-15;/h2-9H,10H2,1H3;1H