Quaternary Ammonium Compounds, Benzyl-C12-18-Alkyldimethyl, Salts With 1,2-Benzisothiazol-3(2H)-One 1,1-Dioxide (1:1)
[CAS# 68989-01-5]

Identification

• Name: Quaternary Ammonium Compounds, Benzyl-C12-18-Alkyldimethyl, Salts With 1,2-Benzisothiazol-3(2H)-One 1,1-Dioxide (1:1)
• Synonyms: Benzyl-Dimethyl-Tetradecyl-Ammonium; 1,1-Dioxo-1,2-Benzothiazol-3-Olate; Benzyl-Dimethyl-Tetradecylammonium; 1,1-Dioxo-1,2-Benzothiazol-3-Olate; Benzyl-Dimethyl-Myristyl-Ammonium; 1,1-Diketo-1,2-Benzothiazol-3-Olate
• Molecular Formula: C₃₀H₄₆N₂O₃S
• Molecular Weight: 514.77
• CAS Registry Number: 68989-01-5
• EINECS: 273-545-7
• SMILES: C1=C(C[N+](CCCCCCCCCCCCCC)(C)C)C=CC=C1.C2=CC=CC3=C2[S](=NC3=O)([O-])=O
• InChI: 1S/C23H42N.C7H5NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1-4H,(H,8,9,10,11)/q+1;/p-1
• InChIKey: KRPAACLBBQSAEA-UHFFFAOYSA-M