Methacyne
[CAS# 95548-36-0]

Identification

• Name: Methacyne
• Synonyms: 2-(2-Hydroxy-2,2-Diphenyl-Acetyl)Oxyethyl-Dimethyl-[2-(2,2,6,6-Tetramethyl-1-Oxido-4-Piperidyl)Ethyl]Ammonium Iodide; 2-(2-Hydroxy-1-Oxo-2,2-Diphenylethoxy)Ethyl-Dimethyl-[2-(2,2,6,6-Tetramethyl-1-Oxido-4-Piperidinyl)Ethyl]Ammonium Iodide; 2-Benziloyloxyeth
• Molecular Formula: C₂₉H₄₂IN₂O₄
• Molecular Weight: 609.57
• CAS Registry Number: 95548-36-0
• SMILES: [I].C3=C(C(C(OCC[N+](CCC1CC(N(C(C1)(C)C)[O-])(C)C)(C)C)=O)(C2=CC=CC=C2)O)C=CC=C3
• InChI: 1S/C29H42N2O4.I/c1-27(2)21-23(22-28(3,4)30(27)34)17-18-31(5,6)19-20-35-26(32)29(33,24-13-9-7-10-14-24)25-15-11-8-12-16-25;/h7-16,23,33H,17-22H2,1-6H3
• InChIKey: TXSCLRIXGNZWSX-UHFFFAOYSA-N