1-(4-methoxyphenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-(2-phthalazin-2-iumyl)ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-phthalazin-2-ium-2-ylethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-phthalazin-2-ium-2-yl-ethanone bromide Formula: C17H15BrN2O2 MolecularWeight: 359.2172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=N2.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=N2.[Br-]

InChI

InChI=1S/C17H15N2O2.BrH/c1-21-16-8-6-13(7-9-16)17(20)12-19-11-15-5-3-2-4-14(15)10-18-19;/h2-11H,12H2,1H3;1H/q+1;/p-1