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Details

Stereochemistry ACHIRAL
Molecular Formula C11H22NO2.Cl
Molecular Weight 235.751
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

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

InChI

InChIKey=KZFGODFMICNOHF-UHFFFAOYSA-M
InChI=1S/C11H22NO2.ClH/c1-7-10(13)14-9-11(2,3)8-12(4,5)6;/h7H,1,8-9H2,2-6H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
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 ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 18:45:18 GMT 2025
Edited
by admin
on Wed Apr 02 18:45:18 GMT 2025
Record UNII
M3L6C5VQN5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,2-Dimethyl-3-((1-oxoallyl)oxy)propyltrimethylammonium chloride
Systematic Name English
1-Propanaminium, N,N,N,2-tetramethyl-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-, chloride
Preferred Name English
1-Propanaminium, N,N,N,2-tetramethyl-2-[[(1-oxo-2-propen-1-yl)oxy]methyl]-, chloride (1:1)
Systematic Name English
Code System Code Type Description
CAS
84100-29-8
Created by admin on Wed Apr 02 18:45:18 GMT 2025 , Edited by admin on Wed Apr 02 18:45:18 GMT 2025
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EPA CompTox
DTXSID701004379
Created by admin on Wed Apr 02 18:45:18 GMT 2025 , Edited by admin on Wed Apr 02 18:45:18 GMT 2025
PRIMARY
PUBCHEM
25090886
Created by admin on Wed Apr 02 18:45:18 GMT 2025 , Edited by admin on Wed Apr 02 18:45:18 GMT 2025
PRIMARY
FDA UNII
M3L6C5VQN5
Created by admin on Wed Apr 02 18:45:18 GMT 2025 , Edited by admin on Wed Apr 02 18:45:18 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE