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

Systemtic Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone Openeye Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-thiazol-3-ium-3-yl-ethanone CAS Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(3-thiazol-3-iumyl)ethanone IUPAC Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(1,3-thiazol-3-ium-3-yl)ethanone Traditional Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-thiazol-3-ium-3-yl-ethanone Formula: C14H14NO3S+ MolecularWeight: 276.33086

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14NO3S/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/q+1