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(Q105287216)
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English
4-[(R)-{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}(hydroxy)methyl]quinolin-6-ol
group of stereoisomers with the chemical formula C₁₉H₂₂N₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
quinoline alkaloid
1 reference
inferred from
quinoline alkaloid
mass
310.168127944
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₂N₂O₂
0 references
canonical SMILES
OC=1C=CC2=NC=CC(=C2C1)C(O)C3N4CCC(C3)C(C=C)C4
0 references
isomeric SMILES
C=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(O)cc12
0 references
Identifiers
InChI
InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12?,13?,18?,19-/m1/s1
0 references
InChIKey
VJFMSYZSFUWQPZ-BXJNULTDSA-N
0 references
PubChem CID
51196
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VJFMSYZSFUWQPZ-BXJNULTDSA-N
ChEBI ID
165176
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12?,13?,18?,19-/m1/s1
UniChem compound ID
291946
1 reference
stated in
UniChem
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