3-[ethanoyl-[2-(hexadecoxymethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-azanium iodide

Systemtic Name: 3-[ethanoyl-[2-(hexadecoxymethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-azanium iodide Openeye Name: 3-[acetyl-[2-(hexadecoxymethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-ammonium iodide CAS Name: 3-[acetyl-[2-(hexadecoxymethyl)-3-methoxypropyl]sulfamoyl]propyl-trimethylammonium iodide IUPAC Name: 3-[acetyl-[2-(hexadecoxymethyl)-3-methoxypropyl]sulfamoyl]propyl-trimethylazanium iodide Traditional Name: 3-[acetyl-[2-(cetyloxymethyl)-3-methoxy-propyl]sulfamoyl]propyl-trimethyl-ammonium iodide Formula: C29H61IN2O5S MolecularWeight: 676.77451

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CN(C(=O)C)S(=O)(=O)CCC[N+](C)(C)C)COC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CN(C(=O)C)S(=O)(=O)CCC[N+](C)(C)C)COC.[I-]

InChI

InChI=1S/C29H61N2O5S.HI/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-36-27-29(26-35-6)25-30(28(2)32)37(33,34)24-21-22-31(3,4)5;/h29H,7-27H2,1-6H3;1H/q+1;/p-1