4-pyridin-4-yl-1-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butyl]pyridin-1-ium bromide

Systemtic Name: 4-pyridin-4-yl-1-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butyl]pyridin-1-ium bromide Openeye Name: 4-(4-pyridyl)-1-[4-[4-(4-pyridyl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium bromide CAS Name: 4-pyridin-4-yl-1-[4-(4-pyridin-4-yl-1-pyridin-1-iumyl)butyl]pyridin-1-ium bromide IUPAC Name: 4-pyridin-4-yl-1-[4-(4-pyridin-4-ylpyridin-1-ium-1-yl)butyl]pyridin-1-ium bromide Traditional Name: 4-(4-pyridyl)-1-[4-[4-(4-pyridyl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium bromide Formula: C24H24BrN4+ MolecularWeight: 448.37816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N4.BrH/c1(15-27-17-7-23(8-18-27)21-3-11-25-12-4-21)2-16-28-19-9-24(10-20-28)22-5-13-26-14-6-22;/h3-14,17-20H,1-2,15-16H2;1H/q+2;/p-1