(3alpha,9R)-1-Benzyl-9-Hydroxycinchonan-1-Ium Bromide
[CAS# 118089-84-2]

Identification

• Name: (3alpha,9R)-1-Benzyl-9-Hydroxycinchonan-1-Ium Bromide
• Synonyms: (1R)[(2R,5R)-1-benzyl-5-vinylquinuclidin-2-yl]-4-quinolylmethan-1-ol, bromide
• Molecular Formula: C₂₆H₂₉BrN₂O
• Molecular Weight: 465.43
• CAS Registry Number: 118089-84-2
• SMILES: C=C[C@H]1C[N+]2(CCC1C[C@@H]2[C@@H](c3ccnc4c3cccc4)O)Cc5ccccc5.[Br-]
• InChI: 1S/C26H29N2O.BrH/c1-2-20-18-28(17-19-8-4-3-5-9-19)15-13-21(20)16-25(28)26(29)23-12-14-27-24-11-7-6-10-22(23)24;/h2-12,14,20-21,25-26,29H,1,13,15-18H2;1H/q+1;/p-1/t20-,21?,25+,26+,28?;/m0./s1
• InChIKey: UUVFTQCFSNVLGV-LMVUFYRTSA-M

Properties

• Refractive index: (Cal.)