1,5-bis(oxidanyl)pentan-3-yl-[(E)-octadec-9-enoyl]azanium chloride

Systemtic Name: 1,5-bis(oxidanyl)pentan-3-yl-[(E)-octadec-9-enoyl]azanium chloride Openeye Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]-[(E)-octadec-9-enoyl]ammonium chloride CAS Name: 1,5-dihydroxypentan-3-yl-[(E)-1-oxooctadec-9-enyl]ammonium chloride IUPAC Name: 1,5-dihydroxypentan-3-yl-[(E)-octadec-9-enoyl]azanium chloride Traditional Name: [3-hydroxy-1-(2-hydroxyethyl)propyl]-[(E)-octadec-9-enoyl]ammonium chloride Formula: C23H46ClNO3 MolecularWeight: 420.06924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[NH2+]C(CCO)CCO.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[NH2+]C(CCO)CCO.[Cl-]

InChI

InChI=1S/C23H45NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)24-22(18-20-25)19-21-26;/h9-10,22,25-26H,2-8,11-21H2,1H3,(H,24,27);1H/b10-9+;