3-[[2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-azanium Openeye Name: 3-[[2-(hexadecylsulfanylmethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-ammonium CAS Name: 3-[[2-[(hexadecylthio)methyl]-3-methoxypropyl]sulfamoyl]propyl-trimethylammonium IUPAC Name: 3-[[2-(hexadecylsulfanylmethyl)-3-methoxypropyl]sulfamoyl]propyl-trimethylazanium Traditional Name: 3-[[2-[(cetylthio)methyl]-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-ammonium Formula: C27H59N2O3S2+ MolecularWeight: 523.89896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H59N2O3S2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-26-27(25-32-5)24-28-34(30,31)23-20-21-29(2,3)4/h27-28H,6-26H2,1-5H3/q+1