3-but-3-enoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide

Systemtic Name: 3-but-3-enoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-but-3-enoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-but-3-enoxy-4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-but-3-enoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-but-3-enoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C12H14IN3OS MolecularWeight: 375.22853

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2OCCC=C.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2OCCC=C.[I-]

InChI

InChI=1S/C12H14N3OS.HI/c1-3-4-8-16-12-11(13-17-14-12)10-6-5-7-15(2)9-10;/h3,5-7,9H,1,4,8H2,2H3;1H/q+1;/p-1