Clidinium bromide

C22H26BrNO3CAS 3485-62-9432.36 g/mol

N+OOOHBr−
AlcoholEsterQuaternary ammonium

Properties

Molecular formula
C22H26BrNO3
Molar mass
432.36 g/mol
Exact mass
431.1096 Da
Melting point
240.5 °C
logP
-0.29Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
3485-62-9
SMILES
C[N+]12CCC(CC1)C(OC(=O)C(O)(c1ccccc1)c1ccccc1)C2.[Br-]
InChIKey
GKEGFOKQMZHVOW-UHFFFAOYSA-M
InChI
InChI=1S/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;/h2-11,17,20,25H,12-16H2,1H3;1H/q+1;/p-1

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Names and synonyms

9 names
  • 1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1)
  • Quinuclidinium, 3-hydroxy-1-methyl-, bromide, benzilate
  • 1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide
  • 3-Hydroxy-1-methylquinuclidinium bromide, benzilate
  • Ro 2-3773
  • 3-(Benziloyloxy)-1-methylquinuclidinium bromide
  • 1-Methyl-3-(benziloyloxy)quinuclidinium bromide
  • Quarzan
  • Quarzan bromide

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Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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