[(E)-2,2-bis(1-hydroxyethyl)octadec-9-enoyl]-methyl-azanium chloride

Systemtic Name: [(E)-2,2-bis(1-hydroxyethyl)octadec-9-enoyl]-methyl-azanium chloride Openeye Name: [(E)-2,2-bis(1-hydroxyethyl)octadec-9-enoyl]-methyl-ammonium chloride CAS Name: [(E)-2,2-bis(1-hydroxyethyl)-1-oxooctadec-9-enyl]-methylammonium chloride IUPAC Name: [(E)-2,2-bis(1-hydroxyethyl)octadec-9-enoyl]-methylazanium chloride Traditional Name: [(E)-2,2-bis(1-hydroxyethyl)octadec-9-enoyl]-methyl-ammonium chloride Formula: C23H46ClNO3 MolecularWeight: 420.06924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20(2)25,21(3)26)22(27)24-4;/h12-13,20-21,25-26H,5-11,14-19H2,1-4H3,(H,24,27);1H/b13-12+;