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(Q83125844)
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English
3-Oxa-9-azoniatricyclo(3.3.1.0(sup 2,4))nonane, 9-methyl-9-(1-methylethyl)-7-((1-oxo-2-propylpentyl)oxy)-, bromide, stereoisomer
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
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mass
403.172206048
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₄BrNO₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC(CCC)C(=O)OC1CC2C3OC3C(C1)[N+]2(C)C(C)C.[Br-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCC(CCC)C(=O)OC1C[C@H]2[C@@H]3O[C@@H]3[C@H](C1)[N+]2(C)C(C)C.[Br-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H34NO3.BrH/c1-6-8-13(9-7-2)19(21)22-14-10-15-17-18(23-17)16(11-14)20(15,5)12(3)4;/h12-18H,6-11H2,1-5H3;1H/q+1;/p-1/t14?,15-,16-,17-,18+,20?;/m0./s1
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InChIKey
SZJCXTBUVLAOIG-FOBSLCLESA-M
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CAS Registry Number
96336-29-7
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PubChem CID
71301118
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68693888
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00242206
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DSSTOX compound identifier
DTXCID60164697
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