1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; methanesulfonate

Systemtic Name: 1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; methanesulfonate Openeye Name: 1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; methanesulfonate CAS Name: 1-dodecyl-2-[12-(1-dodecyl-2-pyridin-1-iumyl)dodecyl]pyridin-1-ium; methanesulfonate IUPAC Name: 1-dodecyl-2-[12-(1-dodecylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium; methanesulfonate Traditional Name: 1-lauryl-2-[12-(1-laurylpyridin-1-ium-2-yl)dodecyl]pyridin-1-ium dimesylate Formula: C48H88N2O6S2 MolecularWeight: 853.35212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCCCCCCCCCCCC2=CC=CC=[N+]2CCCCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C46H82N2.2CH4O3S/c1-3-5-7-9-11-13-19-23-27-33-41-47-43-35-31-39-45(47)37-29-25-21-17-15-16-18-22-26-30-38-46-40-32-36-44-48(46)42-34-28-24-20-14-12-10-8-6-4-2;2*1-5(2,3)4/h31-32,35-36,39-40,43-44H,3-30,33-34,37-38,41-42H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2