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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H16NO2.CH3O4S
Molecular Weight 269.315
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(ACRYLOYLOXY)ETHYLTRIMETHYLAMMONIUM METHYL SULFATE

SMILES

COS([O-])(=O)=O.C[N+](C)(C)CCOC(=O)C=C

InChI

InChIKey=UZLGVMYVDYNSCS-UHFFFAOYSA-M
InChI=1S/C8H16NO2.CH4O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5-6(2,3)4/h5H,1,6-7H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C8H16NO2
Molecular Weight 158.2181
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH3O4S
Molecular Weight 111.097
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 Sat Dec 16 07:54:17 GMT 2023
Edited
by admin
on Sat Dec 16 07:54:17 GMT 2023
Record UNII
94X9Y04K9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(ACRYLOYLOXY)ETHYLTRIMETHYLAMMONIUM METHYL SULFATE
Systematic Name English
2-(ACRYLOYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM METHYL SULFATE
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((1-OXO-2-PROPENYL)OXY)-, METHYL SULFATE
Common Name English
TRIMETHYLAMINOETHYL ACRYLATE METHYL SULFATE
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((1-OXO-2-PROPEN-1-YL)OXY)-, METHYL SULFATE (1:1)
Systematic Name English
ACRYLOYLOXYETHYLTRIMETHYLAMMONIUM METHYL SULFATE
Systematic Name English
CHOLINE, METHYL SULFATE, ACRYLATE
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
236-029-2
Created by admin on Sat Dec 16 07:54:17 GMT 2023 , Edited by admin on Sat Dec 16 07:54:17 GMT 2023
PRIMARY
FDA UNII
94X9Y04K9E
Created by admin on Sat Dec 16 07:54:17 GMT 2023 , Edited by admin on Sat Dec 16 07:54:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID5040257
Created by admin on Sat Dec 16 07:54:17 GMT 2023 , Edited by admin on Sat Dec 16 07:54:17 GMT 2023
PRIMARY
CAS
13106-44-0
Created by admin on Sat Dec 16 07:54:17 GMT 2023 , Edited by admin on Sat Dec 16 07:54:17 GMT 2023
PRIMARY
PUBCHEM
83145
Created by admin on Sat Dec 16 07:54:17 GMT 2023 , Edited by admin on Sat Dec 16 07:54:17 GMT 2023
PRIMARY