N-(4-Phenyl-3-Methyl-2-Butenyl)Carbonylhydroxymethylpiperidinium Chloride
[CAS# 42528-18-7]

Identification

• Name: N-(4-Phenyl-3-Methyl-2-Butenyl)Carbonylhydroxymethylpiperidinium Chloride
• Synonyms: Nonyl 2-[1-[(E)-3-Methyl-4-Phenyl-But-2-Enyl]Piperidin-1-Ium-1-Yl]Acetate Chloride; 2-[1-[(E)-3-Methyl-4-Phenylbut-2-Enyl]-1-Piperidin-1-Iumyl]Acetic Acid Nonyl Ester Chloride; 2-[1-[(E)-3-Methyl-4-Phenyl-But-2-Enyl]Piperidin-1-Ium-1-Yl]Acetic Acid Nonyl Ester Chloride
• Molecular Formula: C₂₇H₄₄ClNO₂
• Molecular Weight: 450.10
• CAS Registry Number: 42528-18-7
• SMILES: C2=C(C/C(=C/C[N+]1(CC(OCCCCCCCCC)=O)CCCCC1)C)C=CC=C2.[Cl-]
• InChI: 1S/C27H44NO2.ClH/c1-3-4-5-6-7-8-15-22-30-27(29)24-28(19-13-10-14-20-28)21-18-25(2)23-26-16-11-9-12-17-26;/h9,11-12,16-18H,3-8,10,13-15,19-24H2,1-2H3;1H/q+1;/p-1/b25-18+
• InChIKey: UHJHVHWKXNGDFN-LHSXHHQOSA-M