3-[Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]Quinolin-1-Ium-1-Yl]Butyl]Azaniumyl]Propyl-Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]Quinolin-1-Ium-1-Yl]Butyl]Azanium Tetraiodide
[CAS# 197770-98-2]

Identification

• Name: 3-[Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]Quinolin-1-Ium-1-Yl]Butyl]Azaniumyl]Propyl-Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]Quinolin-1-Ium-1-Yl]Butyl]Azanium Tetraiodide
• Synonyms: 3-[Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]Quinolin-1-Ium-1-Yl]Butyl]Ammonio]Propyl-Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]Quinolin-1-Ium-1-Yl]Butyl]Ammonium Tetraiodide; 3-[Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]-1-Quinolin-1-Iumyl]Butyl]Ammonio]Propyl-Dimethyl-[4-[4-[(E)-(3-Methyl-1,3-Benzothiazol-2-Ylidene)Methyl]-1-Quinolin-1-Iumyl]Butyl]Ammonium Tetraiodide; Quinolinium, 1,1'-(1,3-Propanediylbis((Dimethyliminio)-4,1-Butanediyl))Bis(4-((3-Methyl-2(3H)-Benzothiazolylidene)Methyl)-, Tetraiodide
• Molecular Formula: C₅₁H₆₂I₄N₆S₂
• Molecular Weight: 1330.83
• CAS Registry Number: 197770-98-2
• SMILES: [I-].[I-].C3=C(C=C2N(C1=C(C=CC=C1)S2)C)C8=C([N+](=C3)CCCC[N+](CCC[N+](CCCC[N+]6=CC=C(C=C5N(C4=C(C=CC=C4)S5)C)C7=C6C=CC=C7)(C)C)(C)C)C=CC=C8.[I-].[I-]
• InChI: 1S/C51H62N6S2.4HI/c1-52-46-24-11-13-26-48(46)58-50(52)38-40-28-32-54(44-22-9-7-20-42(40)44)30-15-17-34-56(3,4)36-19-37-57(5,6)35-18-16-31-55-33-29-41(43-21-8-10-23-45(43)55)39-51-53(2)47-25-12-14-27-49(47)59-51;;;;/h7-14,20-29,32-33,38-39H,15-19,30-31,34-37H2,1-6H3;4*1H/q+4;;;;/p-4
• InChIKey: MLGIJHZVIJKBKN-UHFFFAOYSA-J