3-[(2-acetamido-3-hexadecylsulfanyl-propyl)sulfamoyl]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[(2-acetamido-3-hexadecylsulfanyl-propyl)sulfamoyl]propyl-trimethyl-azanium iodide Openeye Name: 3-[(2-acetamido-3-hexadecylsulfanyl-propyl)sulfamoyl]propyl-trimethyl-ammonium iodide CAS Name: 3-[[2-acetamido-3-(hexadecylthio)propyl]sulfamoyl]propyl-trimethylammonium iodide IUPAC Name: 3-[(2-acetamido-3-hexadecylsulfanylpropyl)sulfamoyl]propyl-trimethylazanium iodide Traditional Name: 3-[[2-acetamido-3-(cetylthio)propyl]sulfamoyl]propyl-trimethyl-ammonium iodide Formula: C27H58IN3O3S2 MolecularWeight: 663.80219

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCC[N+](C)(C)C)NC(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCC[N+](C)(C)C)NC(=O)C.[I-]

InChI

InChI=1S/C27H57N3O3S2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-34-25-27(29-26(2)31)24-28-35(32,33)23-20-21-30(3,4)5;/h27-28H,6-25H2,1-5H3;1H