1-hydroxyethyl-methyl-[(E)-octadec-9-enyl]-octadecyl-azanium chloride

Systemtic Name: 1-hydroxyethyl-methyl-[(E)-octadec-9-enyl]-octadecyl-azanium chloride Openeye Name: 1-hydroxyethyl-methyl-[(E)-octadec-9-enyl]-octadecyl-ammonium chloride CAS Name: 1-hydroxyethyl-methyl-[(E)-octadec-9-enyl]-octadecylammonium chloride IUPAC Name: 1-hydroxyethyl-methyl-[(E)-octadec-9-enyl]-octadecylazanium chloride Traditional Name: 1-hydroxyethyl-methyl-[(E)-octadec-9-enyl]-stearyl-ammonium chloride Formula: C39H80ClNO MolecularWeight: 614.5116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H80NO.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(4,39(3)41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h19,21,39,41H,5-18,20,22-38H2,1-4H3;1H/q+1;/p-1/b21-19+;