3-[(E)-hex-2-enoxy]-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide

Systemtic Name: 3-[(E)-hex-2-enoxy]-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-[(E)-hex-2-enoxy]-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-[(E)-hex-2-enoxy]-4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-[(E)-hex-2-enoxy]-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-[(E)-hex-2-enoxy]-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C14H18IN3OS MolecularWeight: 403.28169

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC=CCOC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCC/C=C/COC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C14H18N3OS.HI/c1-3-4-5-6-10-18-14-13(15-19-16-14)12-8-7-9-17(2)11-12;/h5-9,11H,3-4,10H2,1-2H3;1H/q+1;/p-1/b6-5+;