3-(3-acetyloxy-4-hexadecoxy-butyl)sulfonylpropyl-trimethyl-azanium chloride

Systemtic Name: 3-(3-acetyloxy-4-hexadecoxy-butyl)sulfonylpropyl-trimethyl-azanium chloride Openeye Name: 3-(3-acetoxy-4-hexadecoxy-butyl)sulfonylpropyl-trimethyl-ammonium chloride CAS Name: 3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylammonium chloride IUPAC Name: 3-(3-acetyloxy-4-hexadecoxybutyl)sulfonylpropyl-trimethylazanium chloride Traditional Name: 3-(3-acetoxy-4-cetyloxy-butyl)sulfonylpropyl-trimethyl-ammonium chloride Formula: C28H58ClNO5S MolecularWeight: 556.28182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCC[N+](C)(C)C)OC(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCS(=O)(=O)CCC[N+](C)(C)C)OC(=O)C.[Cl-]

InChI

InChI=1S/C28H58NO5S.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-26-28(34-27(2)30)21-25-35(31,32)24-20-22-29(3,4)5;/h28H,6-26H2,1-5H3;1H/q+1;/p-1