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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H46NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(27)24(4,21(2)25)22(3)26;/h12-13,21-22,25-26H,5-11,14-20H2,1-4H3;1H/q+1;/p-1/b13-12+;