2-[2-[3-hexadecoxy-2-(2-oxidanylidenepropoxy)propoxy]ethoxy]ethyl-trimethyl-azanium chloride

Systemtic Name: 2-[2-[3-hexadecoxy-2-(2-oxidanylidenepropoxy)propoxy]ethoxy]ethyl-trimethyl-azanium chloride Openeye Name: 2-[2-(2-acetonyloxy-3-hexadecoxy-propoxy)ethoxy]ethyl-trimethyl-ammonium chloride CAS Name: 2-[2-[3-hexadecoxy-2-(2-oxopropoxy)propoxy]ethoxy]ethyl-trimethylammonium chloride IUPAC Name: 2-[2-[3-hexadecoxy-2-(2-oxopropoxy)propoxy]ethoxy]ethyl-trimethylazanium chloride Traditional Name: 2-[2-(2-acetonyloxy-3-cetyloxy-propoxy)ethoxy]ethyl-trimethyl-ammonium chloride Formula: C29H60ClNO5 MolecularWeight: 538.2434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCCOCC[N+](C)(C)C)OCC(=O)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCCOCC[N+](C)(C)C)OCC(=O)C.[Cl-]

InChI

InChI=1S/C29H60NO5.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-33-26-29(35-25-28(2)31)27-34-24-23-32-22-20-30(3,4)5;/h29H,6-27H2,1-5H3;1H/q+1;/p-1