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

Systemtic Name: 3-(1-methylpyridin-1-ium-3-yl)-4-phenylmethoxy-1,2,5-thiadiazole iodide Openeye Name: 3-benzyloxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide CAS Name: 3-(1-methyl-3-pyridin-1-iumyl)-4-phenylmethoxy-1,2,5-thiadiazole iodide IUPAC Name: 3-(1-methylpyridin-1-ium-3-yl)-4-phenylmethoxy-1,2,5-thiadiazole iodide Traditional Name: 3-benzoxy-4-(1-methylpyridin-1-ium-3-yl)-1,2,5-thiadiazole iodide Formula: C15H14IN3OS MolecularWeight: 411.26063

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=NSN=C2OCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=NSN=C2OCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C15H14N3OS.HI/c1-18-9-5-8-13(10-18)14-15(17-20-16-14)19-11-12-6-3-2-4-7-12;/h2-10H,11H2,1H3;1H/q+1;/p-1