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(Q82568386)
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English
(1S,2R,9aR)-1-(Hydroxymethyl)-2-methyloctahydro-2H-quinolizin-5-ium
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
184.16959074409
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₂₂NO⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1CC[NH+]2CCCCC2C1CO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@@H]1CC[NH+]2CCCC[C@@H]2[C@H]1CO
0 references
Identifiers
InChI
InChI=1S/C11H21NO/c1-9-5-7-12-6-3-2-4-11(12)10(9)8-13/h9-11,13H,2-8H2,1H3/p+1/t9-,10+,11-/m1/s1
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InChIKey
KQSUTGPPNQPQPW-OUAUKWLOSA-O
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CAS Registry Number
176210-35-8
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PubChem CID
40478996
1 reference
matched by identifier from
InChIKey
InChIKey
KQSUTGPPNQPQPW-OUAUKWLOSA-O
UniChem compound ID
4888941
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50654436
1 reference
matched by identifier from
InChIKey
InChIKey
KQSUTGPPNQPQPW-OUAUKWLOSA-O
DSSTOX compound identifier
DTXCID10605186
0 references
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