trimethyl-[4-oxidanyl-1-[(1-oxidanyl-3-oxidanylidene-hexadecan-2-yl)amino]pentan-3-yl]azanium chloride

Systemtic Name: trimethyl-[4-oxidanyl-1-[(1-oxidanyl-3-oxidanylidene-hexadecan-2-yl)amino]pentan-3-yl]azanium chloride Openeye Name: [2-hydroxy-1-[2-[[1-(hydroxymethyl)-2-oxo-pentadecyl]amino]ethyl]propyl]-trimethyl-ammonium chloride CAS Name: [4-hydroxy-1-[(1-hydroxy-3-oxohexadecan-2-yl)amino]pentan-3-yl]-trimethylammonium chloride IUPAC Name: [4-hydroxy-1-[(1-hydroxy-3-oxohexadecan-2-yl)amino]pentan-3-yl]-trimethylazanium chloride Traditional Name: [2-hydroxy-1-[2-[(2-keto-1-methylol-pentadecyl)amino]ethyl]propyl]-trimethyl-ammonium chloride Formula: C24H51ClN2O3 MolecularWeight: 451.12634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(CO)NCCC(C(C)O)[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(CO)NCCC(C(C)O)[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C24H51N2O3.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-24(29)22(20-27)25-19-18-23(21(2)28)26(3,4)5;/h21-23,25,27-28H,6-20H2,1-5H3;1H/q+1;/p-1