(E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid iodide

Systemtic Name: (E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid iodide Openeye Name: (E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid iodide CAS Name: (E)-3-(1-butyl-2-pyridin-1-iumyl)-2-propenoic acid iodide IUPAC Name: (E)-3-(1-butylpyridin-1-ium-2-yl)prop-2-enoic acid iodide Traditional Name: (E)-3-(1-butylpyridin-1-ium-2-yl)acrylic acid iodide Formula: C12H16INO2 MolecularWeight: 333.16541

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=CC=C1C=CC(=O)O.[I-]

Isomeric SMILES

CCCC[N+]1=CC=CC=C1/C=C/C(=O)O.[I-]

InChI

InChI=1S/C12H15NO2.HI/c1-2-3-9-13-10-5-4-6-11(13)7-8-12(14)15;/h4-8,10H,2-3,9H2,1H3;1H/b8-7+;