3-(8-fluoranylpentacosan-8-ylsulfonylamino)propyl-trimethyl-azanium chloride

Systemtic Name: 3-(8-fluoranylpentacosan-8-ylsulfonylamino)propyl-trimethyl-azanium chloride Openeye Name: 3-[(1-fluoro-1-heptyl-octadecyl)sulfonylamino]propyl-trimethyl-ammonium chloride CAS Name: 3-(8-fluoropentacosan-8-ylsulfonylamino)propyl-trimethylammonium chloride IUPAC Name: 3-(8-fluoropentacosan-8-ylsulfonylamino)propyl-trimethylazanium chloride Traditional Name: 3-[(1-fluoro-1-heptyl-octadecyl)sulfonylamino]propyl-trimethyl-ammonium chloride Formula: C31H66ClFN2O2S MolecularWeight: 585.384343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCC)(F)S(=O)(=O)NCCC[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCC)(F)S(=O)(=O)NCCC[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C31H66FN2O2S.ClH/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-28-31(32,27-24-22-11-9-7-2)37(35,36)33-29-26-30-34(3,4)5;/h33H,6-30H2,1-5H3;1H/q+1;/p-1