(R)-3-(2-benzylamino-2-phenyl-acetoxy)-1-[2-(3-ethoxycarbonyl-isoxazol-5-yl)-2-oxo-ethyl]-1-azonia-bicyclo[2.2.2]octane bromide

HCID 86643228
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cc(C(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)C(NCc2ccccc2)c2ccccc2)C3)on1.[Br-]
InChIKey
WPROGBQGUXFUID-IHRANWJDSA-M
Molecular formula
C30H34BrN3O6
Average molar mass
612.5 g/mol

Names & identifiers

Preferred name
(R)-3-(2-benzylamino-2-phenyl-acetoxy)-1-[2-(3-ethoxycarbonyl-isoxazol-5-yl)-2-oxo-ethyl]-1-azonia-bicyclo[2.2.2]octane bromide
IUPAC
ethyl 5-[2-[(3R)-3-[2-(benzylamino)-2-phenylacetyl]oxy-1-azoniabicyclo[2.2.2]octan-1-yl]acetyl]-1,2-oxazole-3-carboxylate bromide

Names & synonyms

SCHEMBL2484732WPROGBQGUXFUID-IHRANWJDSA-M(R)-3-(2-benzylamino-2-phenyl-acetoxy)-1-[2-(3-ethoxycarbonyl-isoxazol-5-yl)-2-oxo-ethyl]-1-azonia-bicyclo[2.2.2]octane bromide

Database identifiers

PubChem CID
86643228

Properties

Computed structural properties

Topological polar surface area
108 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
40

Related reactions

2 records
New reaction record

Linked notes

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