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(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate structure

CAS No:
116533-64-3
Formula:
C21H32NO3+
Chemical Name:
(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Synonyms:
Oxypyrronium;UNII-1IH4C995X0;1IH4C995X0;Oxypyrronium cation;CHEMBL2111134;(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;116533-64-3;Q27252459;2-(2-Hydroxymethyl)-1,1-dimethyl)pyrrolidinium alpha-phenylcyclohexaneglycolate;2-[(beta-Cyclohexyl-beta-hydroxy-alpha-oxophenethyloxy)methyl]-1,1-dimethylpyrrolidinium

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(1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate Basic Attributes

Molecular Weight：

346.5 g/mol

Exact Mass：

346.23821888 g/mol

UNII：

1IH4C995X0

Characteristics

PSA：

46.5 Å²

XLogP3：

3.1953

Computed Properties

Molecular Weight:346.5
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:346.23821888
Monoisotopic Mass:346.23821888
Topological Polar Surface Area:46.5
Heavy Atom Count:25
Formal Charge:1
Complexity:452
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) 2-cyclohexyl-2-hydroxy-2-phenylacetate Structure

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Guide of (1,1-dimethylpyrrolidin-1-ium-2-yl)methyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

Basic Attributes
Characteristics
Computed Properties
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