tert-butyl pyridin-1-ium-3-carboxylate iodide

Systemtic Name: tert-butyl pyridin-1-ium-3-carboxylate iodide Openeye Name: tert-butyl pyridin-1-ium-3-carboxylate iodide CAS Name: 3-pyridin-1-iumcarboxylic acid tert-butyl ester iodide IUPAC Name: tert-butyl pyridin-1-ium-3-carboxylate iodide Traditional Name: pyridin-1-ium-3-carboxylic acid tert-butyl ester iodide Formula: C10H14INO2 MolecularWeight: 307.12813

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H13NO2.HI/c1-10(2,3)13-9(12)8-5-4-6-11-7-8;/h4-7H,1-3H3;1H