hexyl(trimethyl)azanium; methylsulfonyl 2-methoxy-3-octadecoxy-propane-1-sulfonate

Systemtic Name: hexyl(trimethyl)azanium; methylsulfonyl 2-methoxy-3-octadecoxy-propane-1-sulfonate Openeye Name: hexyl(trimethyl)ammonium; methylsulfonyl 2-methoxy-3-octadecoxy-propane-1-sulfonate CAS Name: hexyl(trimethyl)ammonium; 2-methoxy-3-octadecoxy-1-propanesulfonic acid IUPAC Name: hexyl(trimethyl)azanium; methylsulfonyl 2-methoxy-3-octadecoxypropane-1-sulfonate Traditional Name: hexyl(trimethyl)ammonium; 2-methoxy-3-stearyloxy-propane-1-sulfonic acid mesyl ester Formula: C32H70NO7S2+ MolecularWeight: 645.0307

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H48O7S2.C9H22N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-21-23(28-2)22-32(26,27)30-31(3,24)25;1-5-6-7-8-9-10(2,3)4/h23H,4-22H2,1-3H3;5-9H2,1-4H3/q;+1