 Home > Encyclopedia > [(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate;bromide

[(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate;bromide

[(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate;bromide structure

CAS No:
28798-20-1
Formula:
C19H28BrNO3
Chemical Name:
[(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate;bromide
Synonyms:
28798-20-1;DTXSID70951439;Isoquinolium, 1,2,3,4,4a-beta,5,6,7,8,8a-beta-decahydro-7-alpha-hydroxy-2,2-dimethyl-, bromide, p-anisate;7-[(4-Methoxybenzoyl)oxy]-2,2-dimethyldecahydroisoquinolin-2-ium bromide

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[(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate;bromide Basic Attributes

Molecular Weight：

398.3 g/mol

Exact Mass：

397.12526 g/mol

Characteristics

PSA：

35.5 Å²

Computed Properties

Molecular Weight:398.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:397.12526
Monoisotopic Mass:397.12526
Topological Polar Surface Area:35.5
Heavy Atom Count:24
Complexity:415
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of [(4aS,7S,8aS)-2,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-7-yl] 4-methoxybenzoate;bromide

Basic Attributes
Characteristics
Computed Properties

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