2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide

Systemtic Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide Openeye Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide CAS Name: 2-[4-(cyanomethyl)-1-pyridin-1-iumyl]propanoic acid iodide IUPAC Name: 2-[4-(cyanomethyl)pyridin-1-ium-1-yl]propanoic acid iodide Traditional Name: 2-[4-(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=C(C=C1)CC#N.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C10H10N2O2.HI/c1-8(10(13)14)12-6-3-9(2-5-11)4-7-12;/h3-4,6-8H,2H2,1H3;1H