1,2,3,4,4alpha-alpha,5,6,7,8,8alpha-beta-Decahydro-2-Ethyl-7-alpha-Hydroxy-2-Methyl-Isoquinolium Bromide p-Anisate
[CAS# 28798-19-8]

Identification

• Name: 1,2,3,4,4alpha-alpha,5,6,7,8,8alpha-beta-Decahydro-2-Ethyl-7-alpha-Hydroxy-2-Methyl-Isoquinolium Bromide p-Anisate
• Synonyms: 4-Methoxybenzoic Acid [(4As,7R,8Ar)-2-Ethyl-2-Methyl-3,4,4A,5,6,7,8,8A-Octahydro-1H-Isoquinolin-2-Ium-7-Yl] Ester Bromide; Isoquinolium, 1,2,3,4,4A-Alpha,5,6,7,8,8A-Beta-Decahydro-2-Ethyl-7-Alpha-Hydroxy-2-Methyl-, Bromide, P-Anisate
• Molecular Formula: C₂₀H₃₀BrNO₃
• Molecular Weight: 412.37
• CAS Registry Number: 28798-19-8
• SMILES: [C@H]12CC[N+](C[C@@H]1C[C@@H](CC2)OC(C3=CC=C(C=C3)OC)=O)(C)CC.[Br-]
• InChI: 1S/C20H30NO3.BrH/c1-4-21(2)12-11-15-5-10-19(13-17(15)14-21)24-20(22)16-6-8-18(23-3)9-7-16;/h6-9,15,17,19H,4-5,10-14H2,1-3H3;1H/q+1;/p-1/t15-,17-,19+,21?;/m0./s1
• InChIKey: KIJQDKHRKBCMOI-SYGBBEKLSA-M