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

Systemtic Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(2,3-dimethyl-1-imidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(4,5-dihydro-3H-1,2-benzodioxepin-8-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide Formula: C16H19BrN2O3 MolecularWeight: 367.23766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC(=O)C2=CC3=C(CCCOO3)C=C2)C.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CC(=O)C2=CC3=C(CCCOO3)C=C2)C.[Br-]

InChI

InChI=1S/C16H19N2O3.BrH/c1-12-17(2)7-8-18(12)11-15(19)14-6-5-13-4-3-9-20-21-16(13)10-14;/h5-8,10H,3-4,9,11H2,1-2H3;1H/q+1;/p-1