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

Systemtic Name: 3-(3-ethoxypropoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Openeye Name: 3-(3-ethoxypropoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-(3-ethoxypropoxy)-4-(1-methyl-3-pyridin-1-iumyl)-1,2,5-thiadiazole iodide IUPAC Name: 3-(3-ethoxypropoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Traditional Name: 3-(3-ethoxypropoxy)-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C13H18IN3O2S MolecularWeight: 407.27039

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCOC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCOCCCOC1=NSN=C1C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C13H18N3O2S.HI/c1-3-17-8-5-9-18-13-12(14-19-15-13)11-6-4-7-16(2)10-11;/h4,6-7,10H,3,5,8-9H2,1-2H3;1H/q+1;/p-1