3-ethanoyl-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-2-one iodide

Systemtic Name: 3-ethanoyl-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-2-one iodide Openeye Name: 3-acetyl-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-2-one iodide CAS Name: 3-acetyl-5,5-dimethyl-4-(1-pyridin-1-iumylmethyl)-2-furanone iodide IUPAC Name: 3-acetyl-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-2-one iodide Traditional Name: 3-acetyl-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-2-one iodide Formula: C14H16INO3 MolecularWeight: 373.18621

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(OC1=O)(C)C)C[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CC(=O)C1=C(C(OC1=O)(C)C)C[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C14H16NO3.HI/c1-10(16)12-11(14(2,3)18-13(12)17)9-15-7-5-4-6-8-15;/h4-8H,9H2,1-3H3;1H/q+1;/p-1