(R)-1-(2-(2-methylthiazol-4-yl)-2-oxoethyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane bromide

HCID 86643226
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Basic information

Standard SMILES
Cc1nc(C(=O)C[N+]23CCC(CC2)[C@@H](OC(=O)[C@H](Nc2ccccc2)c2ccccc2)C3)cs1.[Br-]
InChIKey
NEILJHXRXQLWEB-VGCPTZBLSA-M
Molecular formula
C27H30BrN3O3S
Average molar mass
556.5 g/mol

Names & identifiers

Preferred name
(R)-1-(2-(2-methylthiazol-4-yl)-2-oxoethyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane bromide
IUPAC
[(3R)-1-[2-(2-methyl-1,3-thiazol-4-yl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-anilino-2-phenylacetate bromide

Names & synonyms

SCHEMBL2487934NEILJHXRXQLWEB-VGCPTZBLSA-M(R)-1-(2-(2-methylthiazol-4-yl)-2-oxoethyl)-3-((R)-2-phenyl-2-(phenylamino)acetoxy)-1-azoniabicyclo[2.2.2]octane bromide

Database identifiers

PubChem CID
86643226

Properties

Computed structural properties

Topological polar surface area
96.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
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Compound notes

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