methanesulfonate; 1-[3-(2-methoxy-3-octadecoxy-propyl)sulfonylpropyl]pyridin-1-ium

Systemtic Name: methanesulfonate; 1-[3-(2-methoxy-3-octadecoxy-propyl)sulfonylpropyl]pyridin-1-ium Openeye Name: methanesulfonate; 1-[3-(2-methoxy-3-octadecoxy-propyl)sulfonylpropyl]pyridin-1-ium CAS Name: methanesulfonate; 1-[3-(2-methoxy-3-octadecoxypropyl)sulfonylpropyl]pyridin-1-ium IUPAC Name: methanesulfonate; 1-[3-(2-methoxy-3-octadecoxypropyl)sulfonylpropyl]pyridin-1-ium Traditional Name: 1-[3-(2-methoxy-3-stearyloxy-propyl)sulfonylpropyl]pyridin-1-ium mesylate Formula: C31H59NO7S2 MolecularWeight: 621.93266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCC[N+]1=CC=CC=C1)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)CCC[N+]1=CC=CC=C1)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C30H56NO4S.CH4O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-35-28-30(34-2)29-36(32,33)27-22-25-31-23-19-18-20-24-31;1-5(2,3)4/h18-20,23-24,30H,3-17,21-22,25-29H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1