1-[2-[2-hexyl-5-[2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethoxy]phenoxy]ethyl]-4-pyridin-4-yl-pyridin-1-ium

Systemtic Name: 1-[2-[2-hexyl-5-[2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethoxy]phenoxy]ethyl]-4-pyridin-4-yl-pyridin-1-ium Openeye Name: 1-[2-[2-hexyl-5-[2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethoxy]phenoxy]ethyl]-4-(4-pyridyl)pyridin-1-ium CAS Name: 1-[2-[2-hexyl-5-[2-(4-pyridin-4-yl-1-pyridin-1-iumyl)ethoxy]phenoxy]ethyl]-4-pyridin-4-ylpyridin-1-ium IUPAC Name: 1-[2-[2-hexyl-5-[2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethoxy]phenoxy]ethyl]-4-pyridin-4-ylpyridin-1-ium Traditional Name: 1-[2-[2-hexyl-5-[2-[4-(4-pyridyl)pyridin-1-ium-1-yl]ethoxy]phenoxy]ethyl]-4-(4-pyridyl)pyridin-1-ium Formula: C36H40N4O2+2 MolecularWeight: 560.7284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OCC[N+]2=CC=C(C=C2)C3=CC=NC=C3)OCC[N+]4=CC=C(C=C4)C5=CC=NC=C5

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OCC[N+]2=CC=C(C=C2)C3=CC=NC=C3)OCC[N+]4=CC=C(C=C4)C5=CC=NC=C5

InChI

InChI=1S/C36H40N4O2/c1-2-3-4-5-6-34-7-8-35(41-27-25-39-21-13-32(14-22-39)30-9-17-37-18-10-30)29-36(34)42-28-26-40-23-15-33(16-24-40)31-11-19-38-20-12-31/h7-24,29H,2-6,25-28H2,1H3/q+2