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

Details

Stereochemistry ACHIRAL
Molecular Formula C9H18NO2.CH3O4S
Molecular Weight 283.342
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-(METHACRYLOYLOXY)ETHYL)TRIMETHYLAMMONIUM METHYL SULFATE

SMILES

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

InChI

InChIKey=IHBKAGRPNRKYAO-UHFFFAOYSA-M
InChI=1S/C9H18NO2.CH4O4S/c1-8(2)9(11)12-7-6-10(3,4)5;1-5-6(2,3)4/h1,6-7H2,2-5H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

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

Molecular Formula C9H18NO2
Molecular Weight 172.2447
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:12:34 GMT 2023
Edited
by admin
on Fri Dec 15 19:12:34 GMT 2023
Record UNII
4Y00S7XU0S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(2-(METHACRYLOYLOXY)ETHYL)TRIMETHYLAMMONIUM METHYL SULFATE
Systematic Name English
BLEMMER DQS
Common Name English
.BETA.-METHACRYLOYLOXYETHYLTRIMETHYLAMMONIUM METHOSULFATE
Common Name English
CHOLINE, METHYL SULFATE, METHACRYLATE
Systematic Name English
METHACRYLIC ACID, CHOLINE METHYL SULFATE ESTER
Common Name English
(TRIMETHYLAMMONIO)ETHYL METHACRYLATE METHYL SULFATE
Systematic Name English
METHACRYLOXYETHYLTRIMETHYLAMMONIUM METHYL SULFATE
Systematic Name English
N,N,N-TRIMETHYL-2-(1-OXO-2-METHYL-2-PROPENYLOXY)ETHANAMINIUM METHYL SULFATE
Systematic Name English
ETHANAMINIUM, N,N,N-TRIMETHYL-2-((2-METHYL-1-OXO-2-PROPEN-1-YL)OXY)-, METHYL SULFATE (1:1)
Common Name English
Code System Code Type Description
FDA UNII
4Y00S7XU0S
Created by admin on Fri Dec 15 19:12:34 GMT 2023 , Edited by admin on Fri Dec 15 19:12:34 GMT 2023
PRIMARY
PUBCHEM
81318
Created by admin on Fri Dec 15 19:12:34 GMT 2023 , Edited by admin on Fri Dec 15 19:12:34 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-995-1
Created by admin on Fri Dec 15 19:12:34 GMT 2023 , Edited by admin on Fri Dec 15 19:12:34 GMT 2023
PRIMARY
CAS
6891-44-7
Created by admin on Fri Dec 15 19:12:34 GMT 2023 , Edited by admin on Fri Dec 15 19:12:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID0040258
Created by admin on Fri Dec 15 19:12:34 GMT 2023 , Edited by admin on Fri Dec 15 19:12:34 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE