3-Methyl-2-[[1-[3-(Trimethylammonio)Propyl]-4(1H)-Pyridinylidene]Methyl]-Benzothiazolium Iodide (1:2)
[CAS# 157199-57-0]

Identification

• Name: 3-Methyl-2-[[1-[3-(Trimethylammonio)Propyl]-4(1H)-Pyridinylidene]Methyl]-Benzothiazolium Iodide (1:2)
• Synonyms: 3-METHYL-2-([1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-PYRIDINYLIDENE]METHYL)-1,3-BENZOTHIAZOL-3-IUM DIIODIDE; BENZOTHIAZOLIUM, 3-METHYL-2-[[1-[3-(TRIMETHYLAMMONIO)PROPYL]-4(1H)-PYRIDINYLIDENE]METHYL]-, DIIODIDE; BO-PRO 1
• Molecular Formula: C₂₀H₂₇I₂N₃S
• Molecular Weight: 595.32
• CAS Registry Number: 157199-57-0
• SMILES: C[n+]1c(C=c2ccn(cc2)CCC[N+](C)(C)C)sc2c1cccc2.[I-].[I-]
• InChI: 1S/C20H27N3S.2HI/c1-21-18-8-5-6-9-19(18)24-20(21)16-17-10-13-22(14-11-17)12-7-15-23(2,3)4;;/h5-6,8-11,13-14,16H,7,12,15H2,1-4H3;2*1H/q+2;;/p-2