1-hexadecyl-4-(1-hexadecylpyridin-1-ium-4-yl)pyridin-1-ium dibromide

Systemtic Name: 1-hexadecyl-4-(1-hexadecylpyridin-1-ium-4-yl)pyridin-1-ium dibromide Openeye Name: 1-hexadecyl-4-(1-hexadecylpyridin-1-ium-4-yl)pyridin-1-ium dibromide CAS Name: 1-hexadecyl-4-(1-hexadecyl-4-pyridin-1-iumyl)pyridin-1-ium dibromide IUPAC Name: 1-hexadecyl-4-(1-hexadecylpyridin-1-ium-4-yl)pyridin-1-ium dibromide Traditional Name: 1-cetyl-4-(1-cetylpyridin-1-ium-4-yl)pyridin-1-ium dibromide Formula: C42H74Br2N2 MolecularWeight: 766.85836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H74N2.2BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-43-37-31-41(32-38-43)42-33-39-44(40-34-42)36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;;/h31-34,37-40H,3-30,35-36H2,1-2H3;2*1H/q+2;;/p-2