3-[[2-(cyanomethyl)-3-hexadecoxy-propyl]sulfamoyl]propyl-trimethyl-azanium

Systemtic Name: 3-[[2-(cyanomethyl)-3-hexadecoxy-propyl]sulfamoyl]propyl-trimethyl-azanium Openeye Name: 3-[[2-(cyanomethyl)-3-hexadecoxy-propyl]sulfamoyl]propyl-trimethyl-ammonium CAS Name: 3-[[2-(cyanomethyl)-3-hexadecoxypropyl]sulfamoyl]propyl-trimethylammonium IUPAC Name: 3-[[2-(cyanomethyl)-3-hexadecoxypropyl]sulfamoyl]propyl-trimethylazanium Traditional Name: 3-[[2-(cetyloxymethyl)-3-cyano-propyl]sulfamoyl]propyl-trimethyl-ammonium Formula: C27H56N3O3S+ MolecularWeight: 502.81684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CC#N)CNS(=O)(=O)CCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CC#N)CNS(=O)(=O)CCC[N+](C)(C)C

InChI

InChI=1S/C27H56N3O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-33-26-27(20-21-28)25-29-34(31,32)24-19-22-30(2,3)4/h27,29H,5-20,22-26H2,1-4H3/q+1