2-({4-[Butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate
[CAS# 85005-71-6]

Identification

• Name: 2-({4-[Butyl(2-cyanoethyl)amino]phenyl}diazenyl)-6-methoxy-3-methyl-1,3-benzothiazol-3-ium acetate
• Synonyms: 2-[[4-[butyl(2-cyanoethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
• Molecular Formula: C₂₄H₂₉N₅O₃S
• Molecular Weight: 467.58
• CAS Registry Number: 85005-71-6
• EINECS: 285-003-7
• SMILES: [O-]C(C)=O.N#CCCN(CCCC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
• InChI: 1S/C22H26N5OS.C2H4O2/c1-4-5-14-27(15-6-13-23)18-9-7-17(8-10-18)24-25-22-26(2)20-12-11-19(28-3)16-21(20)29-22;1-2(3)4/h7-12,16H,4-6,14-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
• InChIKey: KWKWNGFYXFQAEC-UHFFFAOYSA-M