Benzyl(2-Hydroxyethyl)Methyl[3-[(1-Oxooctadec-9-Enyl)Amino]Propyl]Ammonium Chloride
[CAS# 94108-21-1]

Identification

• Name: Benzyl(2-Hydroxyethyl)Methyl[3-[(1-Oxooctadec-9-Enyl)Amino]Propyl]Ammonium Chloride
• Synonyms: (1-Benzyl-3-Hydroxy-Propyl)-[3-[[(E)-Octadec-9-Enoyl]Amino]Propyl]Ammonium Chloride; (1-Benzyl-3-Hydroxypropyl)-[3-[[(E)-1-Oxooctadec-9-Enyl]Amino]Propyl]Ammonium Chloride; (4-Hydroxy-1-Phenyl-Butan-2-Yl)-[3-[[(E)-Octadec-9-Enoyl]Amino]Propyl]Azanium Chlori
• Molecular Formula: C₃₁H₅₅ClN₂O₂
• Molecular Weight: 523.24
• CAS Registry Number: 94108-21-1
• EINECS: 302-360-7
• SMILES: C1=C(CC([NH2+]CCCNC(=O)CCCCCCC\C=C\CCCCCCCC)CCO)C=CC=C1.[Cl-]
• InChI: 1S/C31H54N2O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-23-31(35)33-26-20-25-32-30(24-27-34)28-29-21-17-16-18-22-29;/h9-10,16-18,21-22,30,32,34H,2-8,11-15,19-20,23-28H2,1H3,(H,33,35);1H/b10-9+
• InChIKey: VSMMQDRTNRDCMQ-RRABGKBLSA-N