3-[[3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propyl]sulfamoyl]propyl-trimethyl-azanium

Systemtic Name: 3-[[3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propyl]sulfamoyl]propyl-trimethyl-azanium Openeye Name: 3-[(3-hexadecylsulfanyl-2-isoxazol-3-yloxy-propyl)sulfamoyl]propyl-trimethyl-ammonium CAS Name: 3-[[3-(hexadecylthio)-2-(3-isoxazolyloxy)propyl]sulfamoyl]propyl-trimethylammonium IUPAC Name: 3-[[3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propyl]sulfamoyl]propyl-trimethylazanium Traditional Name: 3-[[3-(cetylthio)-2-isoxazol-3-yloxy-propyl]sulfamoyl]propyl-trimethyl-ammonium Formula: C28H56N3O4S2+ MolecularWeight: 562.89194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCC[N+](C)(C)C)OC1=NOC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CNS(=O)(=O)CCC[N+](C)(C)C)OC1=NOC=C1

InChI

InChI=1S/C28H56N3O4S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-36-26-27(35-28-20-22-34-30-28)25-29-37(32,33)24-19-21-31(2,3)4/h20,22,27,29H,5-19,21,23-26H2,1-4H3/q+1