N-3-4-(dimethylamino)benzoylaminopropyl-N,N-dimethyl-1-Dodecanaminium salt with 4-methylbenzenesulfonic acid (1:1)
[CAS# 156679-41-3]

Identification

• Name: N-3-4-(dimethylamino)benzoylaminopropyl-N,N-dimethyl-1-Dodecanaminium salt with 4-methylbenzenesulfonic acid (1:1)
• Synonyms: 3-[(4-Dimethylaminobenzoyl)Amino]Propyl-Dodecyl-Dimethyl-Ammonium; 4-Methylbenzenesulfonic Acid; 3-[[(4-Dimethylaminophenyl)-Oxomethyl]Amino]Propyl-Dodecyl-Dimethylammonium; 4-Methylbenzenesulfonic Acid; 3-[(4-Dimethylaminobenzoyl)Amino]Propyl-Lauryl-Dimethyl-Ammonium; 4-Methylbenzenesulfonic Acid
• Molecular Formula: C₃₃H₅₆N₃O₄S
• Molecular Weight: 590.88
• CAS Registry Number: 156679-41-3
• SMILES: C1=C([S](O)(=O)=O)C=CC(=C1)C.C2=C(C(=O)NCCC[N+](CCCCCCCCCCCC)(C)C)C=CC(=C2)N(C)C
• InChI: 1S/C26H47N3O.C7H8O3S/c1-6-7-8-9-10-11-12-13-14-15-22-29(4,5)23-16-21-27-26(30)24-17-19-25(20-18-24)28(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h17-20H,6-16,21-23H2,1-5H3;2-5H,1H3,(H,8,9,10)/p+1
• InChIKey: RLPAVRZVJNPKLX-UHFFFAOYSA-O