[(4aR,7S,8aR)-2-Ethyl-2-Methyl-3,4,4a,5,6,7,8,8alpha-Octahydro-1H-Isoquinolin-7-Yl] 4-Methoxybenzoate Bromide
[CAS# 28798-17-6]

Identification

• Name: [(4aR,7S,8aR)-2-Ethyl-2-Methyl-3,4,4a,5,6,7,8,8alpha-Octahydro-1H-Isoquinolin-7-Yl] 4-Methoxybenzoate Bromide
• Synonyms: 4-Methoxybenzoic Acid [(4Ar,7S,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-Beta,5,6,7,8,8A-Beta-Decahydro-2-Ethyl-7-Beta-Hydroxy-2-Methyl-, Bromide, P-Anisate
• Molecular Formula: C₂₀H₃₀BrNO₃
• Molecular Weight: 412.37
• CAS Registry Number: 28798-17-6
• 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?;/m1./s1
• InChIKey: KIJQDKHRKBCMOI-HCDPDMJESA-M