(S)-1-(2-oxo-2-phenyl-ethyl)-3-(2-phenyl-2-phenylamino-acetoxy)-1-azonia-bicyclo[2.2.2]octane chloride

HCID 86643222
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Basic information

Standard SMILES
O=C(C[N+]12CCC(CC1)[C@H](OC(=O)C(Nc1ccccc1)c1ccccc1)C2)c1ccccc1.[Cl-]
InChIKey
DFVVUOVIURCEAA-ZJJMKHLXSA-M
Molecular formula
C29H31ClN2O3
Average molar mass
491 g/mol

Names & identifiers

Preferred name
(S)-1-(2-oxo-2-phenyl-ethyl)-3-(2-phenyl-2-phenylamino-acetoxy)-1-azonia-bicyclo[2.2.2]octane chloride
IUPAC
[(3S)-1-phenacyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-phenylacetate chloride

Names & synonyms

SCHEMBL2484591DFVVUOVIURCEAA-ZJJMKHLXSA-M(S)-1-(2-oxo-2-phenyl-ethyl)-3-(2-phenyl-2-phenylamino-acetoxy)-1-azonia-bicyclo[2.2.2]octane chloride

Database identifiers

PubChem CID
86643222

Properties

Computed structural properties

Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
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Linked notes

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