(1-methylpyridin-1-ium-4-yl)methyl ethanoate iodide

Systemtic Name: (1-methylpyridin-1-ium-4-yl)methyl ethanoate iodide Openeye Name: (1-methylpyridin-1-ium-4-yl)methyl acetate iodide CAS Name: acetic acid (1-methyl-4-pyridin-1-iumyl)methyl ester iodide IUPAC Name: (1-methylpyridin-1-ium-4-yl)methyl acetate iodide Traditional Name: acetic acid (1-methylpyridin-1-ium-4-yl)methyl ester iodide Formula: C9H12INO2 MolecularWeight: 293.10155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CC=[N+](C=C1)C.[I-]

Isomeric SMILES

CC(=O)OCC1=CC=[N+](C=C1)C.[I-]

InChI

InChI=1S/C9H12NO2.HI/c1-8(11)12-7-9-3-5-10(2)6-4-9;/h3-6H,7H2,1-2H3;1H/q+1;/p-1