1-[[2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-ol dibromide

Systemtic Name: 1-[[2-[(3-oxidanylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-ol dibromide Openeye Name: 1-[[2-[(3-hydroxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-ol dibromide CAS Name: 1-[[2-[(3-hydroxy-1-pyridin-1-iumyl)methyl]phenyl]methyl]-3-pyridin-1-iumol dibromide IUPAC Name: 1-[[2-[(3-hydroxypyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium-3-ol dibromide Traditional Name: 1-[2-[(3-hydroxypyridin-1-ium-1-yl)methyl]benzyl]pyridin-1-ium-3-ol dibromide Formula: C18H18Br2N2O2 MolecularWeight: 454.15572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[N+]2=CC=CC(=C2)O)C[N+]3=CC=CC(=C3)O.[Br-].[Br-]

Isomeric SMILES

C1=CC=C(C(=C1)C[N+]2=CC=CC(=C2)O)C[N+]3=CC=CC(=C3)O.[Br-].[Br-]

InChI

InChI=1S/C18H16N2O2.2BrH/c21-17-7-3-9-19(13-17)11-15-5-1-2-6-16(15)12-20-10-4-8-18(22)14-20;;/h1-10,13-14H,11-12H2;2*1H