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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethyl-1-imidazol-3-iumyl)ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,3-dimethylimidazol-3-ium-1-yl)ethanone bromide Formula: C15H17BrN2O3 MolecularWeight: 353.21108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1CC(=O)C2=CC3=C(C=C2)OCCO3)C.[Br-]

Isomeric SMILES

CC1=[N+](C=CN1CC(=O)C2=CC3=C(C=C2)OCCO3)C.[Br-]

InChI

InChI=1S/C15H17N2O3.BrH/c1-11-16(2)5-6-17(11)10-13(18)12-3-4-14-15(9-12)20-8-7-19-14;/h3-6,9H,7-8,10H2,1-2H3;1H/q+1;/p-1