2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide

Systemtic Name: 2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide Openeye Name: 2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide CAS Name: 2-(1-methyl-3-pyridin-1-iumyl)-1,3-benzoxazole iodide IUPAC Name: 2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide Traditional Name: 2-(1-methylpyridin-1-ium-3-yl)-1,3-benzoxazole iodide Formula: C13H11IN2O MolecularWeight: 338.14371

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NC3=CC=CC=C3O2.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NC3=CC=CC=C3O2.[I-]

InChI

InChI=1S/C13H11N2O.HI/c1-15-8-4-5-10(9-15)13-14-11-6-2-3-7-12(11)16-13;/h2-9H,1H3;1H/q+1;/p-1