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

HCID 86643229
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Basic information

Standard SMILES
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(NCc1ccccc1)c1ccccc1)C2)c1ccsc1.[Br-]
InChIKey
ITMNLSZWLPKFJO-QUGWLVAVSA-M
Molecular formula
C28H31BrN2O3S
Average molar mass
555.5 g/mol

Names & identifiers

Preferred name
(R)-3-(2-benzylamino-2-phenyl-acetoxy)-1-(2-oxo-2-thiophen-3-yl-ethyl)-1-azonia-bicyclo[2.2.2]octane bromide
IUPAC
[(3R)-1-(2-oxo-2-thiophen-3-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(benzylamino)-2-phenylacetate bromide

Names & synonyms

SCHEMBL2484665ITMNLSZWLPKFJO-QUGWLVAVSA-M(R)-3-(2-benzylamino-2-phenyl-acetoxy)-1-(2-oxo-2-thiophen-3-yl-ethyl)-1-azonia-bicyclo[2.2.2]octane bromide

Database identifiers

PubChem CID
86643229

Properties

Computed structural properties

Topological polar surface area
83.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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