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

Systemtic Name: 3-but-3-enyl-4-(1-methylpyridin-1-ium-3-yl)-5-oxidanyl-2H-1,2,5-thiadiazole Openeye Name: 3-but-3-enyl-5-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-2H-1,2,5-thiadiazole CAS Name: 3-but-3-enyl-5-hydroxy-4-(1-methyl-3-pyridin-1-iumyl)-2H-1,2,5-thiadiazole IUPAC Name: 3-but-3-enyl-5-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-2H-1,2,5-thiadiazole Traditional Name: 3-but-3-enyl-5-hydroxy-4-(1-methylpyridin-1-ium-3-yl)-2H-1,2,5-thiadiazole Formula: C12H16N3OS+ MolecularWeight: 250.33994

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C2=C(NSN2O)CCC=C

Isomeric SMILES

C[N+]1=CC=CC(=C1)C2=C(NSN2O)CCC=C

InChI

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