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English
3-(Benzoyloxy)-2-(methoxycarbonyl)-8-oxo-8-azabicyclo[3.2.1]octan-8-ium
group of stereoisomers with the chemical formula C₁₆H₁₈NO₅⁺
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
304.11794909609
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₈NO₅⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1[N+]2=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC(=O)C1C(OC(=O)c2ccccc2)CC2CC[C@H]1[N+]2=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H18NO5/c1-21-16(19)14-12-8-7-11(17(12)20)9-13(14)22-15(18)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3/q+1/t11?,12-,13?,14?/m1/s1
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InChIKey
QNOWDWSLZWZSDO-DBBXXEFVSA-N
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CAS Registry Number
98751-80-5
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PubChem CID
179105
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51923575
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20913103
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DSSTOX compound identifier
DTXCID301342115
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