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

Systemtic Name: 3-[[3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl]sulfamoyl]propyl-trimethyl-azanium Openeye Name: 3-[[3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl]sulfamoyl]propyl-trimethyl-ammonium CAS Name: 3-[[3-(hexadecylthio)-2-(methoxycarbonylamino)propyl]sulfamoyl]propyl-trimethylammonium IUPAC Name: 3-[[3-hexadecylsulfanyl-2-(methoxycarbonylamino)propyl]sulfamoyl]propyl-trimethylazanium Traditional Name: 3-[[2-(carbomethoxyamino)-3-(cetylthio)propyl]sulfamoyl]propyl-trimethyl-ammonium Formula: C27H58N3O4S2+ MolecularWeight: 552.89712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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