ethyl 2-[(1-methylpyridin-1-ium-4-yl)methyl]-3-oxidanylidene-butanoate iodide

Systemtic Name: ethyl 2-[(1-methylpyridin-1-ium-4-yl)methyl]-3-oxidanylidene-butanoate iodide Openeye Name: ethyl 2-[(1-methylpyridin-1-ium-4-yl)methyl]-3-oxo-butanoate iodide CAS Name: 2-[(1-methyl-4-pyridin-1-iumyl)methyl]-3-oxobutanoic acid ethyl ester iodide IUPAC Name: ethyl 2-[(1-methylpyridin-1-ium-4-yl)methyl]-3-oxobutanoate iodide Traditional Name: 3-keto-2-[(1-methylpyridin-1-ium-4-yl)methyl]butyric acid ethyl ester iodide Formula: C13H18INO3 MolecularWeight: 363.19139

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO3.HI/c1-4-17-13(16)12(10(2)15)9-11-5-7-14(3)8-6-11;/h5-8,12H,4,9H2,1-3H3;1H/q+1;/p-1