3-ethoxy-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide

Systemtic Name: 3-ethoxy-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-ethoxy-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-ethoxy-4-(1-ethyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-ethoxy-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-ethoxy-4-(1-ethylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C11H14IN3OS MolecularWeight: 363.21783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C2=NSN=C2OCC.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)C2=NSN=C2OCC.[I-]

InChI

InChI=1S/C11H14N3OS.HI/c1-3-14-7-5-6-9(8-14)10-11(15-4-2)13-16-12-10;/h5-8H,3-4H2,1-2H3;1H/q+1;/p-1