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1-butyl-2-(3-octadecoxypropoxy)pyridin-1-ium; methanesulfonate

1-butyl-2-(3-octadecoxypropoxy)pyridin-1-ium; methanesulfonate

Systemtic Name:1-butyl-2-(3-octadecoxypropoxy)pyridin-1-ium; methanesulfonate
Openeye Name:1-butyl-2-(3-octadecoxypropoxy)pyridin-1-ium; methanesulfonate
CAS Name:1-butyl-2-(3-octadecoxypropoxy)pyridin-1-ium; methanesulfonate
IUPAC Name:1-butyl-2-(3-octadecoxypropoxy)pyridin-1-ium; methanesulfonate
Traditional Name:1-butyl-2-(3-stearyloxypropoxy)pyridin-1-ium mesylate
Formula: C31H59NO5S
MolecularWeight: 557.86886
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCCCOC1=CC=CC=[N+]1CCCC.CS(=O)(=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCCCOC1=CC=CC=[N+]1CCCC.CS(=O)(=O)[O-]


InChI

InChI=1S/C30H56NO2.CH4O3S/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-22-27-32-28-23-29-33-30-24-20-21-26-31(30)25-6-4-2;1-5(2,3)4/h20-21,24,26H,3-19,22-23,25,27-29H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


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