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(Q83002257)
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English
1-[(5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl)(hydroxy)methyl]-7-methoxyquinolin-1-ium hydrogen sulfate
group of stereoisomers with the chemical formula C₂₀H₂₆N₂O₆S
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
422.1511575519999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₆N₂O₆S
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C=CC1CN2CCC1CC2C(O)[n+]1cccc2ccc(OC)cc21.O=S(=O)([O-])O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C=CC1CN2CCC1CC2[C@@H](O)[n+]1cccc2ccc(OC)cc21.O=S(=O)([O-])O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H25N2O2.H2O4S/c1-3-14-13-21-10-8-16(14)11-19(21)20(23)22-9-4-5-15-6-7-17(24-2)12-18(15)22;1-5(2,3)4/h3-7,9,12,14,16,19-20,23H,1,8,10-11,13H2,2H3;(H2,1,2,3,4)/q+1;/p-1/t14?,16?,19?,20-;/m1./s1
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InChIKey
SGFQXRZTMRENIG-SOHUGEDCSA-M
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CAS Registry Number
85909-60-0
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PubChem CID
44151313
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
60974502
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601006508
0 references
DSSTOX compound identifier
DTXCID301433378
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