1-octyl-3-[4-[(1-octylpyridin-1-ium-3-yl)methoxy]butoxymethyl]pyridin-1-ium dibromide

Systemtic Name: 1-octyl-3-[4-[(1-octylpyridin-1-ium-3-yl)methoxy]butoxymethyl]pyridin-1-ium dibromide Openeye Name: 1-octyl-3-[4-[(1-octylpyridin-1-ium-3-yl)methoxy]butoxymethyl]pyridin-1-ium dibromide CAS Name: 1-octyl-3-[4-[(1-octyl-3-pyridin-1-iumyl)methoxy]butoxymethyl]pyridin-1-ium dibromide IUPAC Name: 1-octyl-3-[4-[(1-octylpyridin-1-ium-3-yl)methoxy]butoxymethyl]pyridin-1-ium dibromide Traditional Name: 1-octyl-3-[4-[(1-octylpyridin-1-ium-3-yl)methoxy]butoxymethyl]pyridin-1-ium dibromide Formula: C32H54Br2N2O2 MolecularWeight: 658.59136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC=CC(=C1)COCCCCOCC2=C[N+](=CC=C2)CCCCCCCC.[Br-].[Br-]

Isomeric SMILES

CCCCCCCC[N+]1=CC=CC(=C1)COCCCCOCC2=C[N+](=CC=C2)CCCCCCCC.[Br-].[Br-]

InChI

InChI=1S/C32H54N2O2.2BrH/c1-3-5-7-9-11-13-21-33-23-17-19-31(27-33)29-35-25-15-16-26-36-30-32-20-18-24-34(28-32)22-14-12-10-8-6-4-2;;/h17-20,23-24,27-28H,3-16,21-22,25-26,29-30H2,1-2H3;2*1H/q+2;;/p-2