(R)-3-(2-(benzo[b]thiophen-3-yl)-2-(phenylamino)acetoxy)-1-(2-(4-hydroxyphenyl)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane bromide

HCID 54765166
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Basic information

Standard SMILES
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(Nc1ccccc1)c1csc3ccccc13)C2)c1ccc(O)cc1.[Br-]
InChIKey
GFPFXKKGKUEACG-CEMFMDLOSA-N
Molecular formula
C31H31BrN2O4S
Average molar mass
607.6 g/mol

Names & identifiers

Preferred name
(R)-3-(2-(benzo[b]thiophen-3-yl)-2-(phenylamino)acetoxy)-1-(2-(4-hydroxyphenyl)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane bromide
IUPAC
[(3R)-1-[2-(4-hydroxyphenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-anilino-2-(1-benzothiophen-3-yl)acetate bromide

Names & synonyms

SCHEMBL1696151GFPFXKKGKUEACG-CEMFMDLOSA-N(R)-3-(2-(benzo[b]thiophen-3-yl)-2-(phenylamino)acetoxy)-1-(2-(4-hydroxyphenyl)-2-oxoethyl)-1-azoniabicyclo[2.2.2]octane bromide

Database identifiers

PubChem CID
54765166

Properties

Computed structural properties

Topological polar surface area
104 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
39

Related reactions

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Compound notes

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