3-(12-bromanyldodecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium bromide hydrobromide

Systemtic Name: 3-(12-bromanyldodecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium bromide hydrobromide Openeye Name: 3-(12-bromododecyl)-1-[11-(3-pyridyl)undecyl]pyridin-1-ium bromide hydrobromide CAS Name: 3-(12-bromododecyl)-1-[11-(3-pyridinyl)undecyl]pyridin-1-ium bromide hydrobromide IUPAC Name: 3-(12-bromododecyl)-1-(11-pyridin-3-ylundecyl)pyridin-1-ium bromide hydrobromide Traditional Name: 3-(12-bromododecyl)-1-[11-(3-pyridyl)undecyl]pyridin-1-ium bromide hydrobromide Formula: C33H55Br3N2 MolecularWeight: 719.5152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54BrN2.2BrH/c34-26-18-14-10-6-2-1-4-9-13-17-23-33-25-21-29-36(31-33)28-19-15-11-7-3-5-8-12-16-22-32-24-20-27-35-30-32;;/h20-21,24-25,27,29-31H,1-19,22-23,26,28H2;2*1H/q+1;;/p-1