benzenesulfonate; dimethyl(octadecyl)azanium

Systemtic Name: benzenesulfonate; dimethyl(octadecyl)azanium Openeye Name: benzenesulfonate; dimethyl(octadecyl)ammonium CAS Name: benzenesulfonate; dimethyl(octadecyl)ammonium IUPAC Name: benzenesulfonate; dimethyl(octadecyl)azanium Traditional Name: dimethyl(stearyl)ammonium besylate Formula: C26H49NO3S MolecularWeight: 455.73716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H43N.C6H6O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;7-10(8,9)6-4-2-1-3-5-6/h4-20H2,1-3H3;1-5H,(H,7,8,9)