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

Systemtic Name: 3-[[3-hexadecylsulfanyl-2-(methylcarbamoyloxy)propyl]sulfamoyl]propyl-trimethyl-azanium iodide Openeye Name: 3-[[3-hexadecylsulfanyl-2-(methylcarbamoyloxy)propyl]sulfamoyl]propyl-trimethyl-ammonium iodide CAS Name: 3-[[3-(hexadecylthio)-2-(methylcarbamoyloxy)propyl]sulfamoyl]propyl-trimethylammonium iodide IUPAC Name: 3-[[3-hexadecylsulfanyl-2-(methylcarbamoyloxy)propyl]sulfamoyl]propyl-trimethylazanium iodide Traditional Name: 3-[[3-(cetylthio)-2-(methylcarbamoyloxy)propyl]sulfamoyl]propyl-trimethyl-ammonium iodide Formula: C27H58IN3O4S2 MolecularWeight: 679.80159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H57N3O4S2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-35-25-26(34-27(31)28-2)24-29-36(32,33)23-20-21-30(3,4)5;/h26,29H,6-25H2,1-5H3;1H