1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone bromide

Systemtic Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1C(=O)C[N+]3=CC=CC=C3)OCCO2.[Br-]

Isomeric SMILES

CCC1=CC2=C(C=C1C(=O)C[N+]3=CC=CC=C3)OCCO2.[Br-]

InChI

InChI=1S/C17H18NO3.BrH/c1-2-13-10-16-17(21-9-8-20-16)11-14(13)15(19)12-18-6-4-3-5-7-18;/h3-7,10-11H,2,8-9,12H2,1H3;1H/q+1;/p-1