3-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]-4,5-dihydro-1H-pyridazin-6-one bromide

Systemtic Name: 3-[1-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]-4,5-dihydro-1H-pyridazin-6-one bromide Openeye Name: 3-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-yl]-4,5-dihydro-1H-pyridazin-6-one bromide CAS Name: 3-[1-[2-(4-methoxyphenyl)-2-oxoethyl]-4-pyridin-1-iumyl]-4,5-dihydro-1H-pyridazin-6-one bromide IUPAC Name: 3-[1-[2-(4-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]-4,5-dihydro-1H-pyridazin-6-one bromide Traditional Name: 3-[1-[2-keto-2-(4-methoxyphenyl)ethyl]pyridin-1-ium-4-yl]-4,5-dihydro-1H-pyridazin-6-one bromide Formula: C18H18BrN3O3 MolecularWeight: 404.25782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NNC(=O)CC3.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=NNC(=O)CC3.[Br-]

InChI

InChI=1S/C18H17N3O3.BrH/c1-24-15-4-2-14(3-5-15)17(22)12-21-10-8-13(9-11-21)16-6-7-18(23)20-19-16;/h2-5,8-11H,6-7,12H2,1H3;1H