1-octadecyl-4-[6-[(1-octadecylpyridin-1-ium-4-yl)methoxy]hexoxymethyl]pyridin-1-ium dibromide

Systemtic Name: 1-octadecyl-4-[6-[(1-octadecylpyridin-1-ium-4-yl)methoxy]hexoxymethyl]pyridin-1-ium dibromide Openeye Name: 1-octadecyl-4-[6-[(1-octadecylpyridin-1-ium-4-yl)methoxy]hexoxymethyl]pyridin-1-ium dibromide CAS Name: 1-octadecyl-4-[6-[(1-octadecyl-4-pyridin-1-iumyl)methoxy]hexoxymethyl]pyridin-1-ium dibromide IUPAC Name: 1-octadecyl-4-[6-[(1-octadecylpyridin-1-ium-4-yl)methoxy]hexoxymethyl]pyridin-1-ium dibromide Traditional Name: 1-stearyl-4-[6-[(1-stearylpyridin-1-ium-4-yl)methoxy]hexoxymethyl]pyridin-1-ium dibromide Formula: C54H98Br2N2O2 MolecularWeight: 967.17612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)COCCCCCCOCC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)COCCCCCCOCC2=CC=[N+](C=C2)CCCCCCCCCCCCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C54H98N2O2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-43-55-45-39-53(40-46-55)51-57-49-37-33-34-38-50-58-52-54-41-47-56(48-42-54)44-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h39-42,45-48H,3-38,43-44,49-52H2,1-2H3;2*1H/q+2;;/p-2