3-(14-bromanyltetradecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium bromide hydrobromide

Systemtic Name: 3-(14-bromanyltetradecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium bromide hydrobromide Openeye Name: 3-(14-bromotetradecyl)-1-[11-(3-pyridyl)undecyl]pyridin-1-ium bromide hydrobromide CAS Name: 3-(14-bromotetradecyl)-1-[11-(3-pyridinyl)undecyl]pyridin-1-ium bromide hydrobromide IUPAC Name: 3-(14-bromotetradecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium bromide hydrobromide Traditional Name: 3-(14-bromotetradecyl)-1-[11-(3-pyridyl)undecyl]pyridin-1-ium bromide hydrobromide Formula: C35H59Br3N2 MolecularWeight: 747.56836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCCCBr.Br.[Br-]

Isomeric SMILES

C1=CC(=CN=C1)CCCCCCCCCCC[N+]2=CC=CC(=C2)CCCCCCCCCCCCCCBr.Br.[Br-]

InChI

InChI=1S/C35H58BrN2.2BrH/c36-28-20-16-12-8-4-2-1-3-6-11-15-19-25-35-27-23-31-38(33-35)30-21-17-13-9-5-7-10-14-18-24-34-26-22-29-37-32-34;;/h22-23,26-27,29,31-33H,1-21,24-25,28,30H2;2*1H/q+1;;/p-1