2-[4-[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone dibromide

Systemtic Name: 2-[4-[1-[2-(3-methoxyphenyl)-2-oxidanylidene-ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone dibromide Openeye Name: 2-[4-[1-[2-(3-methoxyphenyl)-2-oxo-ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone dibromide CAS Name: 2-[4-[1-[2-(3-methoxyphenyl)-2-oxoethyl]-4-pyridin-1-iumyl]-1-pyridin-1-iumyl]-1-phenylethanone dibromide IUPAC Name: 2-[4-[1-[2-(3-methoxyphenyl)-2-oxoethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-1-phenylethanone dibromide Traditional Name: 2-[4-[1-[2-keto-2-(3-methoxyphenyl)ethyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]-1-phenyl-ethanone dibromide Formula: C27H24Br2N2O3 MolecularWeight: 584.29906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC(=O)C4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC(=O)C4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C27H24N2O3.2BrH/c1-32-25-9-5-8-24(18-25)27(31)20-29-16-12-22(13-17-29)21-10-14-28(15-11-21)19-26(30)23-6-3-2-4-7-23;;/h2-18H,19-20H2,1H3;2*1H/q+2;;/p-2