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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22NO2.CH3O4S
Molecular Weight 311.395
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,2-Dimethyl-3-((1-oxoallyl)oxy)propyltrimethylammonium methyl sulfate

SMILES

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

InChI

InChIKey=GDNYTRIDABFTCM-UHFFFAOYSA-M
InChI=1S/C11H22NO2.CH4O4S/c1-7-10(13)14-9-11(2,3)8-12(4,5)6;1-5-6(2,3)4/h7H,1,8-9H2,2-6H3;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 C11H22NO2
Molecular Weight 200.2979
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 Sat Dec 16 12:34:31 GMT 2023
Edited
by admin
on Sat Dec 16 12:34:31 GMT 2023
Record UNII
R6H3FH4HHF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-Dimethyl-3-((1-oxoallyl)oxy)propyltrimethylammonium methyl sulfate
Systematic Name English
1-Propanaminium, N,N,N,2-tetramethyl-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-, methyl sulfate (1:1)
Systematic Name English
2,2-Dimethyl-3-((1-oxoallyl)oxy)propyltrimethylammonium methyl sulphate
Systematic Name English
1-Propanaminium, N,N,N,2-tetramethyl-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-, methyl sulfate
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
282-109-5
Created by admin on Sat Dec 16 12:34:31 GMT 2023 , Edited by admin on Sat Dec 16 12:34:31 GMT 2023
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PUBCHEM
25090884
Created by admin on Sat Dec 16 12:34:31 GMT 2023 , Edited by admin on Sat Dec 16 12:34:31 GMT 2023
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EPA CompTox
DTXSID70232977
Created by admin on Sat Dec 16 12:34:31 GMT 2023 , Edited by admin on Sat Dec 16 12:34:31 GMT 2023
PRIMARY
CAS
84100-28-7
Created by admin on Sat Dec 16 12:34:31 GMT 2023 , Edited by admin on Sat Dec 16 12:34:31 GMT 2023
PRIMARY
FDA UNII
R6H3FH4HHF
Created by admin on Sat Dec 16 12:34:31 GMT 2023 , Edited by admin on Sat Dec 16 12:34:31 GMT 2023
PRIMARY