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

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

CCC=CCCOC1=NSN=C1C2=C(C=C[NH+]=C2)C.[I-]

Isomeric SMILES

CC/C=C/CCOC1=NSN=C1C2=C(C=C[NH+]=C2)C.[I-]

InChI

InChI=1S/C14H17N3OS.HI/c1-3-4-5-6-9-18-14-13(16-19-17-14)12-10-15-8-7-11(12)2;/h4-5,7-8,10H,3,6,9H2,1-2H3;1H/b5-4+;