2-[[5-[4-(Methoxycarbonyl)Phenyl]-3-Methyl-1,3,4-Thiadiazol-2(3H)-Ylidene]Methyl]-1-Methylquinolinium Methyl Sulphate
[CAS# 85050-06-2]

Identification

• Name: 2-[[5-[4-(Methoxycarbonyl)Phenyl]-3-Methyl-1,3,4-Thiadiazol-2(3H)-Ylidene]Methyl]-1-Methylquinolinium Methyl Sulphate
• Synonyms: Methyl 4-[(5Z)-4-Methyl-5-[(1-Methylquinolin-1-Ium-2-Yl)Methylene]-1,3,4-Thiadiazol-2-Yl]Benzoate; Methyl Sulfate; 4-[(5Z)-4-Methyl-5-[(1-Methyl-2-Quinolin-1-Iumyl)Methylene]-1,3,4-Thiadiazol-2-Yl]Benzoic Acid Methyl Ester; Methyl Sulfate; 4-[(5Z)-4-Methyl-5-[(1-Methylquinolin-1-Ium-2-Yl)Methylene]-1,3,4-Thiadiazol-2-Yl]Benzoic Acid Methyl Ester; Methyl Sulfate
• Molecular Formula: C₂₃H₂₃N₃O₆S₂
• Molecular Weight: 501.57
• CAS Registry Number: 85050-06-2
• EINECS: 285-278-3
• SMILES: C2=CC1=CC=CC=C1[N+](=C2C=C3SC(=NN3C)C4=CC=C(C=C4)C(OC)=O)C.CO[S]([O-])(=O)=O
• InChI: 1S/C22H20N3O2S.CH4O4S/c1-24-18(13-12-15-6-4-5-7-19(15)24)14-20-25(2)23-21(28-20)16-8-10-17(11-9-16)22(26)27-3;1-5-6(2,3)4/h4-14H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: MGBJLQOGUZXASV-UHFFFAOYSA-M