(R)-1-(2-oxo-2-phenyl-ethyl)-3-(2-phenyl-4-methyl-phenyl-amino-acetoxy)-1-azonia-bicyclo[2.2.2]octane bromide

HCID 86643236
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Basic information

Standard SMILES
Cc1ccc(C(N)C(=O)O[C@H]2C[N+]3(CC(=O)c4ccccc4)CCC2CC3)c(-c2ccccc2)c1.[Br-]
InChIKey
BULIZTQHUJDAPD-BBGBWYONSA-M
Molecular formula
C30H33BrN2O3
Average molar mass
549.5 g/mol

Names & identifiers

Preferred name
(R)-1-(2-oxo-2-phenyl-ethyl)-3-(2-phenyl-4-methyl-phenyl-amino-acetoxy)-1-azonia-bicyclo[2.2.2]octane bromide
IUPAC
[(3R)-1-phenacyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-amino-2-(4-methyl-2-phenylphenyl)acetate bromide

Names & synonyms

SCHEMBL2991278BULIZTQHUJDAPD-BBGBWYONSA-M(R)-1-(2-oxo-2-phenyl-ethyl)-3-(2-phenyl-4-methyl-phenyl-amino-acetoxy)-1-azonia-bicyclo[2.2.2]octane bromide

Database identifiers

PubChem CID
86643236

Properties

Computed structural properties

Topological polar surface area
69.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
36

Related reactions

2 records
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Compound notes

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