3-[[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]sulfamoyl]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]sulfamoyl]propyl-trimethyl-azanium iodide Openeye Name: 3-[[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]sulfamoyl]propyl-trimethyl-ammonium iodide CAS Name: 3-[[3-(hexadecylthio)-2-(5-methyl-1,2,4-triazol-1-yl)propyl]sulfamoyl]propyl-trimethylammonium iodide IUPAC Name: 3-[[3-hexadecylsulfanyl-2-(5-methyl-1,2,4-triazol-1-yl)propyl]sulfamoyl]propyl-trimethylazanium iodide Traditional Name: 3-[[3-(cetylthio)-2-(5-methyl-1,2,4-triazol-1-yl)propyl]sulfamoyl]propyl-trimethyl-ammonium iodide Formula: C28H58IN5O2S2 MolecularWeight: 687.82689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCC[N+](C)(C)C)N1C(=NC=N1)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCC[N+](C)(C)C)N1C(=NC=N1)C.[I-]

InChI

InChI=1S/C28H58N5O2S2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-36-25-28(32-27(2)29-26-30-32)24-31-37(34,35)23-20-21-33(3,4)5;/h26,28,31H,6-25H2,1-5H3;1H/q+1;/p-1