tert-butyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide

Systemtic Name: tert-butyl 2-(1-methylpyridin-1-ium-4-yl)ethanoate iodide Openeye Name: tert-butyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide CAS Name: 2-(1-methyl-4-pyridin-1-iumyl)acetic acid tert-butyl ester iodide IUPAC Name: tert-butyl 2-(1-methylpyridin-1-ium-4-yl)acetate iodide Traditional Name: 2-(1-methylpyridin-1-ium-4-yl)acetic acid tert-butyl ester iodide Formula: C12H18INO2 MolecularWeight: 335.18129

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18NO2.HI/c1-12(2,3)15-11(14)9-10-5-7-13(4)8-6-10;/h5-8H,9H2,1-4H3;1H/q+1;/p-1