dimethyl-[1-[(E)-octadec-9-enoxy]-2-oxidanyl-pentadecan-4-yl]azanium chloride

Systemtic Name: dimethyl-[1-[(E)-octadec-9-enoxy]-2-oxidanyl-pentadecan-4-yl]azanium chloride Openeye Name: 1-[2-hydroxy-3-[(E)-octadec-9-enoxy]propyl]dodecyl-dimethyl-ammonium chloride CAS Name: [2-hydroxy-1-[(E)-octadec-9-enoxy]pentadecan-4-yl]-dimethylammonium chloride IUPAC Name: [2-hydroxy-1-[(E)-octadec-9-enoxy]pentadecan-4-yl]-dimethylazanium chloride Traditional Name: 1-[2-hydroxy-3-[(E)-octadec-9-enoxy]propyl]dodecyl-dimethyl-ammonium chloride Formula: C35H72ClNO2 MolecularWeight: 574.40468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC(COCCCCCCCCC=CCCCCCCCC)O)[NH+](C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(CC(COCCCCCCCC/C=C/CCCCCCCC)O)[NH+](C)C.[Cl-]

InChI

InChI=1S/C35H71NO2.ClH/c1-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-38-33-35(37)32-34(36(3)4)30-28-26-24-22-14-12-10-8-6-2;/h17-18,34-35,37H,5-16,19-33H2,1-4H3;1H/b18-17+;