1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-propan-1-one bromide

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-propan-1-one bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-propan-1-one bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyridin-1-iumyl)-1-propanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-ylpropan-1-one bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-propan-1-one bromide Formula: C16H16BrNO3 MolecularWeight: 350.20714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCCO2)[N+]3=CC=CC=C3.[Br-]

InChI

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