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(Q82913582)
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English
1,2,2,4-Tetramethyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1H-azepin-1-yl)ethyl]pyrrolidin-1-ium iodide
chemical compound
1,2,2,4-tetramethyl-1-[2-(3,5,7-trimethyl-2-oxo-2,3-dihydro-1h-azepin-1-yl)ethyl]pyrrolidinium iodide
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
432.16376167600004
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₃₃IN₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC1=CC(C)C(=O)N(CC[N+]2(C)CC(C)CC2(C)C)C(C)=C1.[I-]
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C19H33N2O.HI/c1-14-10-16(3)18(22)20(17(4)11-14)8-9-21(7)13-15(2)12-19(21,5)6;/h10-11,15-16H,8-9,12-13H2,1-7H3;1H/q+1;/p-1
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InChIKey
DWBUQUUKZWIGIA-UHFFFAOYSA-M
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CAS Registry Number
1676-51-3
reason for deprecated rank
cannot be confirmed by other sources
0 references
17099-17-1
reason for deprecated rank
cannot be confirmed by other sources
0 references
DSSTox substance ID
DTXSID00937367
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DTXSID00276248
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DSSTOX compound identifier
DTXCID901365933
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DTXCID00227573
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NSC number
157696
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