3-(13-bromanyltridecyl)-1-[13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium

Systemtic Name: 3-(13-bromanyltridecyl)-1-[13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium Openeye Name: 3-(13-bromotridecyl)-1-[13-[1-[13-(3-pyridyl)tridecyl]pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium CAS Name: 3-(13-bromotridecyl)-1-[13-[1-[13-(3-pyridinyl)tridecyl]-3-pyridin-1-iumyl]tridecyl]pyridin-1-ium IUPAC Name: 3-(13-bromotridecyl)-1-[13-[1-(13-pyridin-3-yltridecyl)pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium Traditional Name: 3-(13-bromotridecyl)-1-[13-[1-[13-(3-pyridyl)tridecyl]pyridin-1-ium-3-yl]tridecyl]pyridin-1-ium Formula: C54H90BrN3+2 MolecularWeight: 861.2165

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCC[N+]3=CC=CC(=C3)CCCCCCCCCCCCCBr

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCC[N+]3=CC=CC(=C3)CCCCCCCCCCCCCBr

InChI

InChI=1S/C54H90BrN3/c55-43-31-25-19-13-7-1-4-11-17-23-29-38-53-41-35-47-58(50-53)46-33-27-21-15-9-3-6-12-18-24-30-39-54-42-36-48-57(51-54)45-32-26-20-14-8-2-5-10-16-22-28-37-52-40-34-44-56-49-52/h34-36,40-42,44,47-51H,1-33,37-39,43,45-46H2/q+2