4-but-3-enyl-3-(1-methylpyridin-1-ium-3-yl)-5-oxidanyl-2H-1,2,5-thiadiazole iodide

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

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=C(N(SN2)O)CCC=C.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=C(N(SN2)O)CCC=C.[I-]

InChI

InChI=1S/C12H16N3OS.HI/c1-3-4-7-11-12(13-17-15(11)16)10-6-5-8-14(2)9-10;/h3,5-6,8-9,13,16H,1,4,7H2,2H3;1H/q+1;/p-1