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(Q105103329)
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English
(12aR)-3,10-dimethoxy-7-methyl-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinolin-7-ium-2,9-diol
group of stereoisomers with the chemical formula C₁₉H₂₂NO₄⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
328.15433460409
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₂NO₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C2C(=CC1OC)CC[N+]3(C4=CC(O)=C(OC)C=C4CC23)C
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isomeric SMILES
COc1cc2c(cc1O)[C@H]1Cc3cc(OC)c(O)cc3[N+]1(C)CC2
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Identifiers
InChI
InChI=1S/C19H21NO4/c1-20-5-4-11-7-18(23-2)16(21)9-13(11)15(20)6-12-8-19(24-3)17(22)10-14(12)20/h7-10,15H,4-6H2,1-3H3,(H-,21,22)/p+1/t15-,20?/m1/s1
0 references
InChIKey
CWKRVCVOEADAEH-IWPPFLRJSA-O
0 references
PubChem CID
163195213
1 reference
based on heuristic
inferred from InChIKey
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