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Details

Stereochemistry ACHIRAL
Molecular Formula C9H14NO2.CH3O4S
Molecular Weight 279.31
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,4-Dimethoxy-3,5-dimethylpyridin-1-ium methyl sulfate

SMILES

COS([O-])(=O)=O.COC1=C(C)C=[N+](OC)C=C1C

InChI

InChIKey=JKZKJKZSYMCJTG-UHFFFAOYSA-M
InChI=1S/C9H14NO2.CH4O4S/c1-7-5-10(12-4)6-8(2)9(7)11-3;1-5-6(2,3)4/h5-6H,1-4H3;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 C9H14NO2
Molecular Weight 168.213
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 Wed Apr 02 20:28:47 GMT 2025
Edited
by admin
on Wed Apr 02 20:28:47 GMT 2025
Record UNII
XY4KSY5JUR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pyridinium, 1,4-dimethoxy-3,5-dimethyl-, methyl sulfate (1:1)
Preferred Name English
1,4-Dimethoxy-3,5-dimethylpyridin-1-ium methyl sulfate
Systematic Name English
Code System Code Type Description
PUBCHEM
19987787
Created by admin on Wed Apr 02 20:28:47 GMT 2025 , Edited by admin on Wed Apr 02 20:28:47 GMT 2025
PRIMARY
FDA UNII
XY4KSY5JUR
Created by admin on Wed Apr 02 20:28:47 GMT 2025 , Edited by admin on Wed Apr 02 20:28:47 GMT 2025
PRIMARY
CAS
2572712-50-4
Created by admin on Wed Apr 02 20:28:47 GMT 2025 , Edited by admin on Wed Apr 02 20:28:47 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE