2-[[3-(2-Carboxyethyl)-3H-Benzothiazol-2-Ylidene]Methyl]-1-Ethylquinolinium Iodide
[CAS# 50378-82-0]

Identification

• Name: 2-[[3-(2-Carboxyethyl)-3H-Benzothiazol-2-Ylidene]Methyl]-1-Ethylquinolinium Iodide
• Synonyms: 3-[(2Z)-2-[(1-Ethylquinolin-1-Ium-2-Yl)Methylene]-1,3-Benzothiazol-3-Yl]Propanoic Acid Iodide; 3-[(2Z)-2-[(1-Ethyl-2-Quinolin-1-Iumyl)Methylene]-1,3-Benzothiazol-3-Yl]Propanoic Acid Iodide; 3-[(2Z)-2-[(1-Ethylquinolin-1-Ium-2-Yl)Methylene]-1,3-Benzothiazol-3-Yl]Propionic Acid Iodide
• Molecular Formula: C₂₂H₂₁IN₂O₂S
• Molecular Weight: 504.38
• CAS Registry Number: 50378-82-0
• EINECS: 256-565-0
• SMILES: C2=CC1=CC=CC=C1[N+](=C2C=C4SC3=CC=CC=C3N4CCC(O)=O)CC.[I-]
• InChI: 1S/C22H20N2O2S.HI/c1-2-23-17(12-11-16-7-3-4-8-18(16)23)15-21-24(14-13-22(25)26)19-9-5-6-10-20(19)27-21;/h3-12,15H,2,13-14H2,1H3;1H
• InChIKey: MLKLIWREVBOCRN-UHFFFAOYSA-N