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

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-pyridin-1-ium-1-yl-ethanone bromide Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-pyridin-1-ium-1-yl-ethanone bromide CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-(1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-pyridin-1-ium-1-ylethanone bromide Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenyl-2-pyridin-1-ium-1-yl-ethanone bromide Formula: C21H18BrNO3 MolecularWeight: 412.27652

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C(=O)C(C3=CC=CC=C3)[N+]4=CC=CC=C4.[Br-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C(=O)C(C3=CC=CC=C3)[N+]4=CC=CC=C4.[Br-]

InChI

InChI=1S/C21H18NO3.BrH/c23-21(17-9-10-18-19(15-17)25-14-13-24-18)20(16-7-3-1-4-8-16)22-11-5-2-6-12-22;/h1-12,15,20H,13-14H2;1H/q+1;/p-1