(8alpha,9R)-9-(Allyloxy)-1-Benzylcinchonan-1-Ium Bromide
[CAS# 158195-40-5]

Identification

• Name: (8alpha,9R)-9-(Allyloxy)-1-Benzylcinchonan-1-Ium Bromide
• Synonyms: O-Allyl-N-benzylcinchondinium bromide; O-Allyl-N-benzylcinchonidinium bromide; 514276_ALDRICH
• Molecular Formula: C₂₉H₃₃BrN₂O
• Molecular Weight: 505.49
• CAS Registry Number: 158195-40-5
• SMILES: [Br-].O(C\C=C)[C@H](c1c2ccccc2ncc1)[C@H]5[N+]4(Cc3ccccc3)C[C@H](\C=C)[C@@H](CC4)C5
• InChI: 1S/C29H33N2O.BrH/c1-3-18-32-29(26-14-16-30-27-13-9-8-12-25(26)27)28-19-24-15-17-31(28,21-23(24)4-2)20-22-10-6-5-7-11-22;/h3-14,16,23-24,28-29H,1-2,15,17-21H2;1H/q+1;/p-1/t23-,24-,28-,29+,31?;/m0./s1
• InChIKey: PMBXATROGBSNCU-PCOYAJJYSA-M

Properties

• Refractive index: (Cal.)