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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H56N3O3S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-33-27(2,21-22-28)26-29-34(31,32)25-20-23-30(3,4)5/h29H,6-21,23-26H2,1-5H3/q+1