U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

Approval Year

Unknown
149124
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
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
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966