3-[[3-hexadecylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[[3-hexadecylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]propyl-trimethyl-azanium iodide Openeye Name: 3-[[2-(tert-butoxycarbonylamino)-3-hexadecylsulfanyl-propyl]sulfamoyl]propyl-trimethyl-ammonium iodide CAS Name: 3-[[3-(hexadecylthio)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]sulfamoyl]propyl-trimethylammonium iodide IUPAC Name: 3-[[3-hexadecylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]sulfamoyl]propyl-trimethylazanium iodide Traditional Name: 3-[[2-(tert-butoxycarbonylamino)-3-(cetylthio)propyl]sulfamoyl]propyl-trimethyl-ammonium iodide Formula: C30H64IN3O4S2 MolecularWeight: 721.88133

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H63N3O4S2.HI/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-38-27-28(32-29(34)37-30(2,3)4)26-31-39(35,36)25-22-23-33(5,6)7;/h28,31H,8-27H2,1-7H3;1H