2,3-bis(oxidanyl)propyl-dimethyl-[1-[[(E)-octadec-9-enoyl]amino]propyl]azanium chloride

Systemtic Name: 2,3-bis(oxidanyl)propyl-dimethyl-[1-[[(E)-octadec-9-enoyl]amino]propyl]azanium chloride Openeye Name: 2,3-dihydroxypropyl-dimethyl-[1-[[(E)-octadec-9-enoyl]amino]propyl]ammonium chloride CAS Name: 2,3-dihydroxypropyl-dimethyl-[1-[[(E)-1-oxooctadec-9-enyl]amino]propyl]ammonium chloride IUPAC Name: 2,3-dihydroxypropyl-dimethyl-[1-[[(E)-octadec-9-enoyl]amino]propyl]azanium chloride Traditional Name: glyceryl-dimethyl-[1-[[(E)-octadec-9-enoyl]amino]propyl]ammonium chloride Formula: C26H53ClN2O3 MolecularWeight: 477.16362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NC(CC)[N+](C)(C)CC(CO)O.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NC(CC)[N+](C)(C)CC(CO)O.[Cl-]

InChI

InChI=1S/C26H52N2O3.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26(31)27-25(6-2)28(3,4)22-24(30)23-29;/h13-14,24-25,29-30H,5-12,15-23H2,1-4H3;1H/b14-13+;