3-pyridin-2-yl-1-[(3-pyridin-2-ylpyridin-1-ium-1-yl)methyl]pyridin-1-ium bromide

Systemtic Name: 3-pyridin-2-yl-1-[(3-pyridin-2-ylpyridin-1-ium-1-yl)methyl]pyridin-1-ium bromide Openeye Name: 3-(2-pyridyl)-1-[[3-(2-pyridyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium bromide CAS Name: 3-(2-pyridinyl)-1-[[3-(2-pyridinyl)-1-pyridin-1-iumyl]methyl]pyridin-1-ium bromide IUPAC Name: 3-pyridin-2-yl-1-[(3-pyridin-2-ylpyridin-1-ium-1-yl)methyl]pyridin-1-ium bromide Traditional Name: 3-(2-pyridyl)-1-[[3-(2-pyridyl)pyridin-1-ium-1-yl]methyl]pyridin-1-ium bromide Formula: C21H18BrN4+ MolecularWeight: 406.29842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=C[N+](=CC=C2)C[N+]3=CC=CC(=C3)C4=CC=CC=N4.[Br-]

Isomeric SMILES

C1=CC=NC(=C1)C2=C[N+](=CC=C2)C[N+]3=CC=CC(=C3)C4=CC=CC=N4.[Br-]

InChI

InChI=1S/C21H18N4.BrH/c1-3-11-22-20(9-1)18-7-5-13-24(15-18)17-25-14-6-8-19(16-25)21-10-2-4-12-23-21;/h1-16H,17H2;1H/q+2;/p-1