1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide

Systemtic Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Openeye Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-thiazol-3-ium-3-yl-ethanone bromide CAS Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(3-thiazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone bromide Traditional Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-thiazol-3-ium-3-yl-ethanone bromide Formula: C14H14BrNO3S MolecularWeight: 356.23486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C=C2)C(=O)C[N+]3=CSC=C3)OOC1.[Br-]

Isomeric SMILES

C1CC2=C(C=C(C=C2)C(=O)C[N+]3=CSC=C3)OOC1.[Br-]

InChI

InChI=1S/C14H14NO3S.BrH/c16-13(9-15-5-7-19-10-15)12-4-3-11-2-1-6-17-18-14(11)8-12;/h3-5,7-8,10H,1-2,6,9H2;1H/q+1;/p-1