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

Systemtic Name: 2-(4-azanylpyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Openeye Name: 2-(4-aminopyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide CAS Name: 2-(4-amino-1-pyridin-1-iumyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide IUPAC Name: 2-(4-aminopyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Traditional Name: 2-(4-aminopyridin-1-ium-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone bromide Formula: C15H15BrN2O3 MolecularWeight: 351.1952

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)N.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C[N+]3=CC=C(C=C3)N.[Br-]

InChI

InChI=1S/C15H14N2O3.BrH/c16-12-3-5-17(6-4-12)10-13(18)11-1-2-14-15(9-11)20-8-7-19-14;/h1-6,9,16H,7-8,10H2;1H