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(Q76295200)
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English
[(1S,5R)-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl] 2-hydroxy-2,2-diphenylacetate
chemical compound
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
392.22202024008993
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₅H₃₀NO₃⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(OC1CC2CCC(C1)[N+]21CCCC1)C(O)(c1ccccc1)c1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CC[N+]2(C1)[C@@H]3CC[C@H]2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O
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Identifiers
InChI
InChI=1S/C25H30NO3/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26/h1-6,9-12,21-23,28H,7-8,13-18H2/q+1/t21-,22+,23?
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InChIKey
OYYDSUSKLWTMMQ-AIZNXBIQSA-N
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PubChem CID
5284632
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