N-(alpha-Carboxy-2-Nitrobenzyl)Carbamoylcholine
[CAS# 117121-25-2]

Identification

• Name: N-(alpha-Carboxy-2-Nitrobenzyl)Carbamoylcholine
• Synonyms: 2-[[2-Hydroxy-1-(2-Nitrophenyl)-2-Oxo-Ethyl]Carbamoyloxy]Ethyl-Trimethyl-Ammonium; 2,2,2-Trifluoroacetic Acid; 2-[[[2-Hydroxy-1-(2-Nitrophenyl)-2-Oxoethyl]Amino]-Oxomethoxy]Ethyl-Trimethylammonium; 2,2,2-Trifluoroacetic Acid; 2-[[2-Hydroxy-2-Keto-1-(2-Nitrophenyl)Ethyl]Carbamoyloxy]Ethyl-Trimethyl-Ammonium; 2,2,2-Trifluoroacetic Acid
• Molecular Formula: C₁₆H₂₁F₃N₃O₈
• Molecular Weight: 440.35
• CAS Registry Number: 117121-25-2
• SMILES: O=C(O)C(F)(F)F.C1=C(C(NC(OCC[N+](C)(C)C)=O)C(=O)O)C(=CC=C1)[N+]([O-])=O
• InChI: 1S/C14H19N3O6.C2HF3O2/c1-17(2,3)8-9-23-14(20)15-12(13(18)19)10-6-4-5-7-11(10)16(21)22;3-2(4,5)1(6)7/h4-7,12H,8-9H2,1-3H3,(H-,15,18,19,20);(H,6,7)/p+1
• InChIKey: XCUMCKKHVKICEN-UHFFFAOYSA-O