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(Q76393574)
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English
[(1S,2S,4R,5R)-9-ethyl-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
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
332.18563473209
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₆NO₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC[N+]1(C)C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4)C
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Identifiers
InChI
InChI=1S/C19H26NO4/c1-3-20(2)15-9-13(10-16(20)18-17(15)24-18)23-19(22)14(11-21)12-7-5-4-6-8-12/h4-8,13-18,21H,3,9-11H2,1-2H3/q+1/t13?,14-,15-,16+,17-,18+,20?/m1/s1
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InChIKey
NVOYVOBDTVTBDX-AGUVMIOSSA-N
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PubChem CID
6917866
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UniChem compound ID
44028237
1 reference
stated in
UniChem
Probes And Drugs ID
PD126806
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