2-[2-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide

Systemtic Name: 2-[2-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide Openeye Name: 2-[2-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide CAS Name: 2-[2-(cyanomethyl)-1-pyridin-1-iumyl]propanoic acid iodide IUPAC Name: 2-[2-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide Traditional Name: 2-[2-(cyanomethyl)pyridin-1-ium-1-yl]propionic acid iodide Formula: C10H11IN2O2 MolecularWeight: 318.11101

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)[N+]1=CC=CC=C1CC#N.[I-]

Isomeric SMILES

CC(C(=O)O)[N+]1=CC=CC=C1CC#N.[I-]

InChI

InChI=1S/C10H10N2O2.HI/c1-8(10(13)14)12-7-3-2-4-9(12)5-6-11;/h2-4,7-8H,5H2,1H3;1H