hexadecyl(methyl)azanium; methyl propane-1-sulfonate

Systemtic Name: hexadecyl(methyl)azanium; methyl propane-1-sulfonate Openeye Name: hexadecyl(methyl)ammonium; methyl propane-1-sulfonate CAS Name: hexadecyl(methyl)ammonium; 1-propanesulfonic acid IUPAC Name: hexadecyl(methyl)azanium; methyl propane-1-sulfonate Traditional Name: cetyl(methyl)ammonium; propane-1-sulfonic acid methyl ester Formula: C21H48NO3S+ MolecularWeight: 394.67572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH2+]C.CCCS(=O)(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH2+]C.CCCS(=O)(=O)OC

InChI

InChI=1S/C17H37N.C4H10O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-2;1-3-4-8(5,6)7-2/h18H,3-17H2,1-2H3;3-4H2,1-2H3/p+1