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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazol-3-ium-3-yl-ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiazol-3-ium-3-yl-ethanone bromide Formula: C13H12BrNO3S MolecularWeight: 342.20828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12NO3S.BrH/c15-11(8-14-3-6-18-9-14)10-1-2-12-13(7-10)17-5-4-16-12;/h1-3,6-7,9H,4-5,8H2;1H/q+1;/p-1