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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H11N2.CH3O3S
Molecular Weight 206.263
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-Ethyl-3-methylimidazolium methanesulfonate

SMILES

CS([O-])(=O)=O.CCN1C=C[N+](C)=C1

InChI

InChIKey=IXLWEDFOKSJYBD-UHFFFAOYSA-M
InChI=1S/C6H11N2.CH4O3S/c1-3-8-5-4-7(2)6-8;1-5(2,3)4/h4-6H,3H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CH3O3S
Molecular Weight 95.098
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C6H11N2
Molecular Weight 111.1649
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:05:10 GMT 2025
Edited
by admin
on Mon Mar 31 23:05:10 GMT 2025
Record UNII
NC3ZYV4WKE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-Imidazolium, 3-ethyl-1-methyl-, methanesulfonate
Preferred Name English
1-Ethyl-3-methylimidazolium methanesulfonate
Systematic Name English
1H-Imidazolium, 3-ethyl-1-methyl-, methanesulfonate (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID7049219
Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025
PRIMARY
CAS
145022-45-3
Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025
PRIMARY
FDA UNII
NC3ZYV4WKE
Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025
PRIMARY
PUBCHEM
16211849
Created by admin on Mon Mar 31 23:05:10 GMT 2025 , Edited by admin on Mon Mar 31 23:05:10 GMT 2025
PRIMARY