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Details

Stereochemistry MIXED
Molecular Formula C11H18N.I
Molecular Weight 291.1718
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,3,3a,4,7,7a-Hexahydro-2,2-dimethyl-4,7-methano-1H-isoindolium iodide

SMILES

[I-].C[N+]1(C)CC2C3CC(C=C3)C2C1

InChI

InChIKey=CJKGQOHAYBXKRE-UHFFFAOYSA-M
InChI=1S/C11H18N.HI/c1-12(2)6-10-8-3-4-9(5-8)11(10)7-12;/h3-4,8-11H,5-7H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula I
Molecular Weight 126.90447
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H18N
Molecular Weight 164.2673
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:04:02 GMT 2025
Edited
by admin
on Tue Apr 01 20:04:02 GMT 2025
Record UNII
9BDY3D8TS4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-400080
Preferred Name English
2,3,3a,4,7,7a-Hexahydro-2,2-dimethyl-4,7-methano-1H-isoindolium iodide
Systematic Name English
3a,4,7,7a-Tetrahydro-2,2-dimethyl-4,7-methanoisoindolinium iodide
Systematic Name English
4,7-Methano-1H-isoindolium, 2,3,3a,4,7,7a-hexahydro-2,2-dimethyl-, iodide
Systematic Name English
Code System Code Type Description
FDA UNII
9BDY3D8TS4
Created by admin on Tue Apr 01 20:04:02 GMT 2025 , Edited by admin on Tue Apr 01 20:04:02 GMT 2025
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EPA CompTox
DTXSID50996500
Created by admin on Tue Apr 01 20:04:02 GMT 2025 , Edited by admin on Tue Apr 01 20:04:02 GMT 2025
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CAS
7500-00-7
Created by admin on Tue Apr 01 20:04:02 GMT 2025 , Edited by admin on Tue Apr 01 20:04:02 GMT 2025
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PUBCHEM
24200611
Created by admin on Tue Apr 01 20:04:02 GMT 2025 , Edited by admin on Tue Apr 01 20:04:02 GMT 2025
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NSC
400080
Created by admin on Tue Apr 01 20:04:02 GMT 2025 , Edited by admin on Tue Apr 01 20:04:02 GMT 2025
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