[(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
Molecular Identity
[(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
[(3S)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
PubChem CID: 24867263
2D Structure
Properties
C22H26NO3+
Molecular Formula
352.40
Molecular Weight
g/mol
352.1913
Exact Mass
Da
3.3
XLogP
Drug-like (Lipinski: < 5)
46.5
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
3
H-Bond Acceptors
482
Complexity
SMILES
Canonical SMILES
SMILES: C[N+]12CCC(CC1)C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)OIsomeric SMILES
SMILES: C[N+]12CCC(CC1)[C@@H](C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)OSynonyms(5)
[(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoateNCGC00018171-01NCGC00018171-03PD132862KG2
Data from PubChem (NCBI)
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Molecular Structure
[(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
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Drug Network
Trials and conditions connected to [(3~{S})-1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2,2-diphenyl-ethanoate
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