2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide

Systemtic Name: 2-(2-azanyl-1,3-thiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Openeye Name: 2-(2-aminothiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide CAS Name: 2-(2-amino-3-thiazol-3-iumyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide IUPAC Name: 2-(2-amino-1,3-thiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Traditional Name: 2-(2-aminothiazol-3-ium-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Formula: C13H13BrN2O3S MolecularWeight: 357.22292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=C(SC=C3)N.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=C(SC=C3)N.[Br-]

InChI

InChI=1S/C13H12N2O3S.BrH/c14-13-15(3-6-19-13)8-10(16)9-1-2-11-12(7-9)18-5-4-17-11;/h1-3,6-7,14H,4-5,8H2;1H