[(E)-pent-3-en-2-yl] pyridin-1-ium-2-carboxylate iodide

Systemtic Name: [(E)-pent-3-en-2-yl] pyridin-1-ium-2-carboxylate iodide Openeye Name: [(E)-1-methylbut-2-enyl] pyridin-1-ium-2-carboxylate iodide CAS Name: 2-pyridin-1-iumcarboxylic acid [(E)-pent-3-en-2-yl] ester iodide IUPAC Name: [(E)-pent-3-en-2-yl] pyridin-1-ium-2-carboxylate iodide Traditional Name: pyridin-1-ium-2-carboxylic acid [(E)-1-methylbut-2-enyl] ester iodide Formula: C11H14INO2 MolecularWeight: 319.13883

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(C)OC(=O)C1=CC=CC=[NH+]1.[I-]

Isomeric SMILES

C/C=C/C(C)OC(=O)C1=CC=CC=[NH+]1.[I-]

InChI

InChI=1S/C11H13NO2.HI/c1-3-6-9(2)14-11(13)10-7-4-5-8-12-10;/h3-9H,1-2H3;1H/b6-3+;