(5-cyano-5,5-diphenyl-pentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ammonium methyl sulfate
[CAS# 3810-83-1]

Identification

• Name: (5-cyano-5,5-diphenyl-pentyl)-dimethyl-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]ammonium methyl sulfate
• Molecular Formula: C₂₉H₄₅N₃O₉S₂
• Molecular Weight: 643.81
• CAS Registry Number: 3810-83-1
• SMILES: C[N+]3(CC[N+](C)(C)CCCCC(C#N)(c1ccccc1)c2ccccc2)CCOCC3.[O-]S(=O)(=O)OC.[O-]S(=O)(=O)OC
• InChI: 1S/C27H39N3O.2CH4O4S/c1-29(2,18-19-30(3)20-22-31-23-21-30)17-11-10-16-27(24-28,25-12-6-4-7-13-25)26-14-8-5-9-15-26;2*1-5-6(2,3)4/h4-9,12-15H,10-11,16-23H2,1-3H3;2*1H3,(H,2,3,4)/q+2;;/p-2
• InChIKey: STTOCSZNTPWKMI-UHFFFAOYSA-L