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

Systemtic Name: 3-butoxy-4-(1-methylpyridin-1-ium-2-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-butoxy-4-(1-methylpyridin-1-ium-2-yl)-1,2,5-thiadiazole iodide CAS Name: 3-butoxy-4-(1-methyl-2-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-butoxy-4-(1-methylpyridin-1-ium-2-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-butoxy-4-(1-methylpyridin-1-ium-2-yl)-1,2,5-thiadiazole iodide Formula: C12H16IN3OS MolecularWeight: 377.24441

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NSN=C1C2=CC=CC=[N+]2C.[I-]

Isomeric SMILES

CCCCOC1=NSN=C1C2=CC=CC=[N+]2C.[I-]

InChI

InChI=1S/C12H16N3OS.HI/c1-3-4-9-16-12-11(13-17-14-12)10-7-5-6-8-15(10)2;/h5-8H,3-4,9H2,1-2H3;1H/q+1;/p-1