3-[[2-(hexadecylsulfanylmethyl)-4-oxidanylidene-pentyl]sulfamoyl]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-(hexadecylsulfanylmethyl)-4-oxidanylidene-pentyl]sulfamoyl]propyl-trimethyl-azanium Openeye Name: 3-[[2-(hexadecylsulfanylmethyl)-4-oxo-pentyl]sulfamoyl]propyl-trimethyl-ammonium CAS Name: 3-[[2-[(hexadecylthio)methyl]-4-oxopentyl]sulfamoyl]propyl-trimethylammonium IUPAC Name: 3-[[2-(hexadecylsulfanylmethyl)-4-oxopentyl]sulfamoyl]propyl-trimethylazanium Traditional Name: 3-[[2-[(cetylthio)methyl]-4-keto-pentyl]sulfamoyl]propyl-trimethyl-ammonium Formula: C28H59N2O3S2+ MolecularWeight: 535.90966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CC(=O)C)CNS(=O)(=O)CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CC(=O)C)CNS(=O)(=O)CCC[N+](C)(C)C

InChI

InChI=1S/C28H59N2O3S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-26-28(24-27(2)31)25-29-35(32,33)23-20-21-30(3,4)5/h28-29H,6-26H2,1-5H3/q+1