4-[Butan-2-Yl-[1-(2-Chlorophenyl)Isoquinoline-3-Carbonyl]Amino]Butyl-Trimethylazanium Iodide
[CAS# 136794-32-6]

Identification

• Name: 4-[Butan-2-Yl-[1-(2-Chlorophenyl)Isoquinoline-3-Carbonyl]Amino]Butyl-Trimethylazanium Iodide
• Synonyms: 4-[[1-(2-Chlorophenyl)Isoquinoline-3-Carbonyl]-Sec-Butyl-Amino]Butyl-Trimethyl-Ammonium Iodide; 4-[[[1-(2-Chlorophenyl)-3-Isoquinolyl]-Oxomethyl]-Sec-Butylamino]Butyl-Trimethylammonium Iodide; 4-[Butan-2-Yl-[1-(2-Chlorophenyl)Isoquinolin-3-Yl]Carbonyl-Amino]Butyl-Trimethyl-Azanium Iodide
• Molecular Formula: C₂₇H₃₅ClIN₃O
• Molecular Weight: 579.95
• CAS Registry Number: 136794-32-6
• SMILES: C2=C1C=CC=CC1=C(N=C2C(N(CCCC[N+](C)(C)C)C(CC)C)=O)C3=CC=CC=C3Cl.[I-]
• InChI: 1S/C27H35ClN3O.HI/c1-6-20(2)30(17-11-12-18-31(3,4)5)27(32)25-19-21-13-7-8-14-22(21)26(29-25)23-15-9-10-16-24(23)28;/h7-10,13-16,19-20H,6,11-12,17-18H2,1-5H3;1H/q+1;/p-1
• InChIKey: ADBZYGNATSWZRE-UHFFFAOYSA-M