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

Systemtic Name: 3-(3-methylbut-2-enoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-(3-methylbut-2-enoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-(3-methylbut-2-enoxy)-4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-(3-methylbut-2-enoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-(3-methylbut-2-enoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C13H16IN3OS MolecularWeight: 389.25511

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N3OS.HI/c1-10(2)6-8-17-13-12(14-18-15-13)11-5-4-7-16(3)9-11;/h4-7,9H,8H2,1-3H3;1H/q+1;/p-1