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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(C=C2)OCCO3.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)C2=CC3=C(C=C2)OCCO3.[Br-]

InChI

InChI=1S/C16H16NO3.BrH/c1-12-4-2-3-7-17(12)11-14(18)13-5-6-15-16(10-13)20-9-8-19-15;/h2-7,10H,8-9,11H2,1H3;1H/q+1;/p-1