2-[(1E,3E,5E)-6-(Dimethylamino)-1,3,5-Hexatrien-1-Yl]-3-Ethyl-1,3-Benzothiazol-3-Ium Iodide
[CAS# 52231-50-2]

Identification

• Name: 2-[(1E,3E,5E)-6-(Dimethylamino)-1,3,5-Hexatrien-1-Yl]-3-Ethyl-1,3-Benzothiazol-3-Ium Iodide
• Synonyms: 2-[(1E,3E,5E)-6-(dimethylamino)hexa-1,3,5-trienyl]-3-ethyl-1,3-benzothiazol-3-ium iodide; Benzothiazolium, 2-[6-(dimethylamino)-1,3,5-hexatrienyl]-3-ethyl-, iodide (9CI)
• Molecular Formula: C₁₇H₂₁IN₂S
• Molecular Weight: 412.33
• CAS Registry Number: 52231-50-2
• SMILES: CC[n+]1c2ccccc2sc1C=CC=CC=CN(C)C.[I-]
• InChI: 1S/C17H21N2S.HI/c1-4-19-15-11-8-9-12-16(15)20-17(19)13-7-5-6-10-14-18(2)3;/h5-14H,4H2,1-3H3;1H/q+1;/p-1
• InChIKey: DJZDZSLREVTUCL-UHFFFAOYSA-M