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

Systemtic Name: methyl(octadecyl)azanium; methyl propane-1-sulfonate Openeye Name: methyl(octadecyl)ammonium; methyl propane-1-sulfonate CAS Name: methyl(octadecyl)ammonium; 1-propanesulfonic acid IUPAC Name: methyl(octadecyl)azanium; methyl propane-1-sulfonate Traditional Name: methyl(stearyl)ammonium; propane-1-sulfonic acid methyl ester Formula: C23H52NO3S+ MolecularWeight: 422.72888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H41N.C4H10O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-2;1-3-4-8(5,6)7-2/h20H,3-19H2,1-2H3;3-4H2,1-2H3/p+1