4-pyridin-4-yl-1-[8-(4-pyridin-4-ylpyridin-1-ium-1-yl)octyl]pyridin-1-ium diiodide

Systemtic Name: 4-pyridin-4-yl-1-[8-(4-pyridin-4-ylpyridin-1-ium-1-yl)octyl]pyridin-1-ium diiodide Openeye Name: 4-(4-pyridyl)-1-[8-[4-(4-pyridyl)pyridin-1-ium-1-yl]octyl]pyridin-1-ium diiodide CAS Name: 4-pyridin-4-yl-1-[8-(4-pyridin-4-yl-1-pyridin-1-iumyl)octyl]pyridin-1-ium diiodide IUPAC Name: 4-pyridin-4-yl-1-[8-(4-pyridin-4-ylpyridin-1-ium-1-yl)octyl]pyridin-1-ium diiodide Traditional Name: 4-(4-pyridyl)-1-[8-[4-(4-pyridyl)pyridin-1-ium-1-yl]octyl]pyridin-1-ium diiodide Formula: C28H32I2N4 MolecularWeight: 678.38942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC=[N+](C=C2)CCCCCCCC[N+]3=CC=C(C=C3)C4=CC=NC=C4.[I-].[I-]

Isomeric SMILES

C1=CN=CC=C1C2=CC=[N+](C=C2)CCCCCCCC[N+]3=CC=C(C=C3)C4=CC=NC=C4.[I-].[I-]

InChI

InChI=1S/C28H32N4.2HI/c1(3-5-19-31-21-11-27(12-22-31)25-7-15-29-16-8-25)2-4-6-20-32-23-13-28(14-24-32)26-9-17-30-18-10-26;;/h7-18,21-24H,1-6,19-20H2;2*1H/q+2;;/p-2