ethyl 5,5-dimethyl-2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate iodide

Systemtic Name: ethyl 5,5-dimethyl-2-oxidanylidene-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate iodide Openeye Name: ethyl 5,5-dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate iodide CAS Name: 5,5-dimethyl-2-oxo-4-(1-pyridin-1-iumylmethyl)-3-furancarboxylic acid ethyl ester iodide IUPAC Name: ethyl 5,5-dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylate iodide Traditional Name: 2-keto-5,5-dimethyl-4-(pyridin-1-ium-1-ylmethyl)furan-3-carboxylic acid ethyl ester iodide Formula: C15H18INO4 MolecularWeight: 403.21219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18NO4.HI/c1-4-19-13(17)12-11(15(2,3)20-14(12)18)10-16-8-6-5-7-9-16;/h5-9H,4,10H2,1-3H3;1H/q+1;/p-1