3-(3-Amino-3-oxopropyl)-2-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-6-ethoxy-1,3-benzothiazol-3-ium chloride
[CAS# 85959-18-8]

Identification

• Name: 3-(3-Amino-3-oxopropyl)-2-({4-[benzyl(ethyl)amino]phenyl}diazenyl)-6-ethoxy-1,3-benzothiazol-3-ium chloride
• Synonyms: 3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride
• Molecular Formula: C₂₇H₃₀ClN₅O₂S
• Molecular Weight: 524.08
• CAS Registry Number: 85959-18-8
• EINECS: 289-009-0
• SMILES: [Cl-].NC(=O)CC[n+]3c4ccc(cc4sc3N=Nc1ccc(cc1)N(Cc2ccccc2)CC)OCC
• InChI: 1S/C27H29N5O2S.ClH/c1-3-31(19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)29-30-27-32(17-16-26(28)33)24-15-14-23(34-4-2)18-25(24)35-27;/h5-15,18H,3-4,16-17,19H2,1-2H3,(H-,28,33);1H
• InChIKey: BPTWPFQNQNJDFN-UHFFFAOYSA-N