[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide
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[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide
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CAS No:
28798-16-5
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Formula:
C20H30BrNO3
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Chemical Name:
[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide
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Synonyms:
DTXSID10951438;Isoquinolium, 1,2,3,4,4a-beta,5,6,7,8,8a-beta-decahydro-2-ethyl-7-alpha-hydroxy-2-methyl-, bromide, p-anisate;2-Ethyl-7-[(4-methoxybenzoyl)oxy]-2-methyldecahydroisoquinolin-2-ium bromide
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CAS No:
[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide Basic Attributes
412.368
411.141
Computed Properties
Molecular Weight:412.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:411.14091
Monoisotopic Mass:411.14091
Topological Polar Surface Area:35.5
Heavy Atom Count:25
Complexity:433
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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[(4aR,7R,8aR)-2-ethyl-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-yl] 4-methoxybenzoate bromide
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