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(Q105015418)
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English
(12S)-15-methoxy-1-methyl-5,7-dioxa-1-azoniapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaen-16-ol
group of stereoisomers with the chemical formula C₁₉H₂₀NO₄⁺
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Statements
instance of
group of stereoisomers
0 references
subclass of
alkaloid
1 reference
inferred from
alkaloid
mass
326.1386845400899
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₉H₂₀NO₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
OC=1C=C2C(=CC1OC)C3CC4=CC=5OCOC5C=C4[N+]3(C)CC2
0 references
isomeric SMILES
COc1cc2c(cc1O)CC[N+]1(C)c3cc4c(cc3C[C@@H]21)OCO4
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Identifiers
InChI
InChI=1S/C19H19NO4/c1-20-4-3-11-6-16(21)17(22-2)8-13(11)15(20)5-12-7-18-19(9-14(12)20)24-10-23-18/h6-9,15H,3-5,10H2,1-2H3/p+1/t15-,20?/m0/s1
0 references
InChIKey
GQIZBMAOHHBERD-OOJLDXBWSA-O
0 references
PubChem CID
163188147
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
GQIZBMAOHHBERD-OOJLDXBWSA-O
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