2,2'-Dimethyl-Cycleaninium Dibromide
[CAS# 75846-14-9]

Identification

• Name: 2,2'-Dimethyl-Cycleaninium Dibromide
• Synonyms: Dimethylcycleanine; Dimethylcycleanine Bromide
• Molecular Formula: C₄₀H₄₈Br₂N₂O₆
• Molecular Weight: 812.64
• CAS Registry Number: 75846-14-9
• SMILES: [C@H]15[N+](CCC2=C1C(=C(OC)C(=C2)OC)OC7=CC=C(C[C@H]3[N+](CCC4=CC(=C(OC)C(=C34)OC6=CC=C(C5)C=C6)OC)(C)C)C=C7)(C)C.[Br-].[Br-]
• InChI: 1S/C40H48N2O6.2BrH/c1-41(2)19-17-27-23-33(43-5)37(45-7)39-35(27)31(41)21-25-9-13-30(14-10-25)48-40-36-28(24-34(44-6)38(40)46-8)18-20-42(3,4)32(36)22-26-11-15-29(47-39)16-12-26;;/h9-16,23-24,31-32H,17-22H2,1-8H3;2*1H/q+2;;/p-2/t31-,32-;;/m1../s1
• InChIKey: PLXGCAIEWRLPEO-YIECZYFASA-L