1-[[2-methoxy-3-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-yl-pyridin-1-ium dibromide

Systemtic Name: 1-[[2-methoxy-3-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-yl-pyridin-1-ium dibromide Openeye Name: 1-[[2-methoxy-3-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]-4-(4-pyridyl)pyridin-1-ium dibromide CAS Name: 1-[[2-methoxy-3-[(4-pyridin-4-yl-1-pyridin-1-iumyl)methyl]phenyl]methyl]-4-pyridin-4-ylpyridin-1-ium dibromide IUPAC Name: 1-[[2-methoxy-3-[(4-pyridin-4-ylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-4-pyridin-4-ylpyridin-1-ium dibromide Traditional Name: 1-[2-methoxy-3-[[4-(4-pyridyl)pyridin-1-ium-1-yl]methyl]benzyl]-4-(4-pyridyl)pyridin-1-ium dibromide Formula: C29H26Br2N4O MolecularWeight: 606.35094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-].[Br-]

Isomeric SMILES

COC1=C(C=CC=C1C[N+]2=CC=C(C=C2)C3=CC=NC=C3)C[N+]4=CC=C(C=C4)C5=CC=NC=C5.[Br-].[Br-]

InChI

InChI=1S/C29H26N4O.2BrH/c1-34-29-27(21-32-17-9-25(10-18-32)23-5-13-30-14-6-23)3-2-4-28(29)22-33-19-11-26(12-20-33)24-7-15-31-16-8-24;;/h2-20H,21-22H2,1H3;2*1H/q+2;;/p-2