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

Systemtic Name: 1-dodecyl-2-[2-(1-dodecylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium; methanesulfonate Openeye Name: 1-dodecyl-2-[2-(1-dodecylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium; methanesulfonate CAS Name: 1-dodecyl-2-[2-(1-dodecyl-2-pyridin-1-iumyl)ethyl]pyridin-1-ium; methanesulfonate IUPAC Name: 1-dodecyl-2-[2-(1-dodecylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium; methanesulfonate Traditional Name: 1-lauryl-2-[2-(1-laurylpyridin-1-ium-2-yl)ethyl]pyridin-1-ium dimesylate Formula: C38H68N2O6S2 MolecularWeight: 713.08632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1CCC2=CC=CC=[N+]2CCCCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1CCC2=CC=CC=[N+]2CCCCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C36H62N2.2CH4O3S/c1-3-5-7-9-11-13-15-17-19-23-31-37-33-25-21-27-35(37)29-30-36-28-22-26-34-38(36)32-24-20-18-16-14-12-10-8-6-4-2;2*1-5(2,3)4/h21-22,25-28,33-34H,3-20,23-24,29-32H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2