2-dodecanoyloxyethyl-(3-dodecanoyloxy-2-oxidanyl-propyl)-dimethyl-azanium chloride

Systemtic Name: 2-dodecanoyloxyethyl-(3-dodecanoyloxy-2-oxidanyl-propyl)-dimethyl-azanium chloride Openeye Name: 2-dodecanoyloxyethyl-(3-dodecanoyloxy-2-hydroxy-propyl)-dimethyl-ammonium chloride CAS Name: [2-hydroxy-3-(1-oxododecoxy)propyl]-dimethyl-[2-(1-oxododecoxy)ethyl]ammonium chloride IUPAC Name: 2-dodecanoyloxyethyl-(3-dodecanoyloxy-2-hydroxypropyl)-dimethylazanium chloride Traditional Name: (2-hydroxy-3-lauroyloxy-propyl)-(2-lauroyloxyethyl)-dimethyl-ammonium chloride Formula: C31H62ClNO5 MolecularWeight: 564.28068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC[N+](C)(C)CC(COC(=O)CCCCCCCCCCC)O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC[N+](C)(C)CC(COC(=O)CCCCCCCCCCC)O.[Cl-]

InChI

InChI=1S/C31H62NO5.ClH/c1-5-7-9-11-13-15-17-19-21-23-30(34)36-26-25-32(3,4)27-29(33)28-37-31(35)24-22-20-18-16-14-12-10-8-6-2;/h29,33H,5-28H2,1-4H3;1H/q+1;/p-1