1-[[3-bromanyl-5-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-yl-pyridin-1-ium

Systemtic Name: 1-[[3-bromanyl-5-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-yl-pyridin-1-ium Openeye Name: 1-[[3-bromo-5-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(4-pyridyl)pyridin-1-ium CAS Name: 1-[[3-bromo-5-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]methyl]-4-pyridin-4-ylpyridin-1-ium IUPAC Name: 1-[[3-bromo-5-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-ylpyridin-1-ium Traditional Name: 1-[3-bromo-5-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzyl]-4-(4-pyridyl)pyridin-1-ium Formula: C28H23BrN4+2 MolecularWeight: 495.41302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)Br)C[N+]4=CC=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

C1=CN=CC=C1C2=CC=[N+](C=C2)CC3=CC(=CC(=C3)Br)C[N+]4=CC=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C28H23BrN4/c29-28-18-22(20-32-13-5-26(6-14-32)24-1-9-30-10-2-24)17-23(19-28)21-33-15-7-27(8-16-33)25-3-11-31-12-4-25/h1-19H,20-21H2/q+2