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

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-prop-2-enoxy-1,2,5-thiadiazole iodide Openeye Name: 3-allyloxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-prop-2-enoxy-1,2,5-thiadiazole iodide IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-prop-2-enoxy-1,2,5-thiadiazole iodide Traditional Name: 3-allyloxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C11H12IN3OS MolecularWeight: 361.20195

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2OCC=C.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2OCC=C.[I-]

InChI

InChI=1S/C11H12N3OS.HI/c1-3-7-15-11-10(12-16-13-11)9-5-4-6-14(2)8-9;/h3-6,8H,1,7H2,2H3;1H/q+1;/p-1