1,5-di(dodecanoyloxy)pentan-3-yl-(2-oxidanylideneethyl)azanium chloride

Systemtic Name: 1,5-di(dodecanoyloxy)pentan-3-yl-(2-oxidanylideneethyl)azanium chloride Openeye Name: [3-dodecanoyloxy-1-(2-dodecanoyloxyethyl)propyl]-(2-oxoethyl)ammonium chloride CAS Name: 1,5-bis(1-oxododecoxy)pentan-3-yl-(2-oxoethyl)ammonium chloride IUPAC Name: 1,5-di(dodecanoyloxy)pentan-3-yl-(2-oxoethyl)azanium chloride Traditional Name: 2-ketoethyl-[3-lauroyloxy-1-(2-lauroyloxyethyl)propyl]ammonium chloride Formula: C31H60ClNO5 MolecularWeight: 562.2648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCCCCCC)[NH2+]CC=O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)OCCC(CCOC(=O)CCCCCCCCCCC)[NH2+]CC=O.[Cl-]

InChI

InChI=1S/C31H59NO5.ClH/c1-3-5-7-9-11-13-15-17-19-21-30(34)36-27-23-29(32-25-26-33)24-28-37-31(35)22-20-18-16-14-12-10-8-6-4-2;/h26,29,32H,3-25,27-28H2,1-2H3;1H