1-decyl-4-[3-(1-decylpyridin-1-ium-4-yl)propyl]pyridin-1-ium; methanesulfonate

Systemtic Name: 1-decyl-4-[3-(1-decylpyridin-1-ium-4-yl)propyl]pyridin-1-ium; methanesulfonate Openeye Name: 1-decyl-4-[3-(1-decylpyridin-1-ium-4-yl)propyl]pyridin-1-ium; methanesulfonate CAS Name: 1-decyl-4-[3-(1-decyl-4-pyridin-1-iumyl)propyl]pyridin-1-ium; methanesulfonate IUPAC Name: 1-decyl-4-[3-(1-decylpyridin-1-ium-4-yl)propyl]pyridin-1-ium; methanesulfonate Traditional Name: 1-decyl-4-[3-(1-decylpyridin-1-ium-4-yl)propyl]pyridin-1-ium dimesylate Formula: C35H62N2O6S2 MolecularWeight: 671.00658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)CCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+]1=CC=C(C=C1)CCCC2=CC=[N+](C=C2)CCCCCCCCCC.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C33H56N2.2CH4O3S/c1-3-5-7-9-11-13-15-17-26-34-28-22-32(23-29-34)20-19-21-33-24-30-35(31-25-33)27-18-16-14-12-10-8-6-4-2;2*1-5(2,3)4/h22-25,28-31H,3-21,26-27H2,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2