1-Pyrenebutyrylcholine
[CAS# 57440-79-6]

Identification

• Name: 1-Pyrenebutyrylcholine
• Synonyms: Trimethyl-[2-(4-Pyren-1-Ylbutanoyloxy)Ethyl]Ammonium Bromide; Trimethyl-[2-[1-Oxo-4-(1-Pyrenyl)Butoxy]Ethyl]Ammonium Bromide; 1-Pyrenebutyrylcholine
• Molecular Formula: C₂₅H₂₈BrNO₂
• Molecular Weight: 454.41
• CAS Registry Number: 57440-79-6
• SMILES: C3=CC2=C1C4=C(C=CC1=CC=C2)C=CC(=C34)CCCC(OCC[N+](C)(C)C)=O.[Br-]
• InChI: 1S/C25H28NO2.BrH/c1-26(2,3)16-17-28-23(27)9-5-6-18-10-11-21-13-12-19-7-4-8-20-14-15-22(18)25(21)24(19)20;/h4,7-8,10-15H,5-6,9,16-17H2,1-3H3;1H/q+1;/p-1
• InChIKey: HUYVZSJAWYAJHE-UHFFFAOYSA-M