1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-3-methyl-pyridin-1-ium bromide

Systemtic Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-3-methyl-pyridin-1-ium bromide Openeye Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-3-methyl-pyridin-1-ium bromide CAS Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-3-methylpyridin-1-ium bromide IUPAC Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-3-methylpyridin-1-ium bromide Traditional Name: 1-(1,5-dihydro-2,4-benzodioxepin-3-ylmethyl)-3-methyl-pyridin-1-ium bromide Formula: C16H18BrNO2 MolecularWeight: 336.22362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC2OCC3=CC=CC=C3CO2.[Br-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CC2OCC3=CC=CC=C3CO2.[Br-]

InChI

InChI=1S/C16H18NO2.BrH/c1-13-5-4-8-17(9-13)10-16-18-11-14-6-2-3-7-15(14)12-19-16;/h2-9,16H,10-12H2,1H3;1H/q+1;/p-1