1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium; methanesulfonate

Systemtic Name: 1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium; methanesulfonate Openeye Name: 1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium; methanesulfonate CAS Name: 1-dodecyl-2-[8-(1-dodecyl-2-pyridin-1-iumyl)octyl]pyridin-1-ium; methanesulfonate IUPAC Name: 1-dodecyl-2-[8-(1-dodecylpyridin-1-ium-2-yl)octyl]pyridin-1-ium; methanesulfonate Traditional Name: 1-lauryl-2-[8-(1-laurylpyridin-1-ium-2-yl)octyl]pyridin-1-ium dimesylate Formula: C44H80N2O6S2 MolecularWeight: 797.2458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C42H74N2.2CH4O3S/c1-3-5-7-9-11-13-15-19-23-29-37-43-39-31-27-35-41(43)33-25-21-17-18-22-26-34-42-36-28-32-40-44(42)38-30-24-20-16-14-12-10-8-6-4-2;2*1-5(2,3)4/h27-28,31-32,35-36,39-40H,3-26,29-30,33-34,37-38H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2