methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxy-propane-1-sulfonate; trimethyl(propyl)azanium

Systemtic Name: methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxy-propane-1-sulfonate; trimethyl(propyl)azanium Openeye Name: methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxy-propane-1-sulfonate; trimethyl(propyl)ammonium CAS Name: 2-(methylcarbamoyloxy)-3-octadecoxy-1-propanesulfonic acid; trimethyl(propyl)ammonium IUPAC Name: methylsulfonyl 2-(methylcarbamoyloxy)-3-octadecoxypropane-1-sulfonate; trimethyl(propyl)azanium Traditional Name: 2-(methylcarbamoyloxy)-3-stearyloxy-propane-1-sulfonic acid mesyl ester; trimethyl(propyl)ammonium Formula: C30H65N2O8S2+ MolecularWeight: 645.9757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)OS(=O)(=O)C)OC(=O)NC.CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)(=O)OS(=O)(=O)C)OC(=O)NC.CCC[N+](C)(C)C

InChI

InChI=1S/C24H49NO8S2.C6H16N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-31-21-23(32-24(26)25-2)22-35(29,30)33-34(3,27)28;1-5-6-7(2,3)4/h23H,4-22H2,1-3H3,(H,25,26);5-6H2,1-4H3/q;+1