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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N.CH3O4S
Molecular Weight 245.295
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2-DIMETHYL-5-VINYLPYRIDINIUM METHYL SULFATE

SMILES

COS([O-])(=O)=O.CC1=[N+](C)C=C(C=C)C=C1

InChI

InChIKey=XKIGDOOFWYHZDA-UHFFFAOYSA-M
InChI=1S/C9H12N.CH4O4S/c1-4-9-6-5-8(2)10(3)7-9;1-5-6(2,3)4/h4-7H,1H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C9H12N
Molecular Weight 134.1983
Charge 1
Count
Stereochemistry ACHIRAL
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 Mon Mar 31 23:34:55 GMT 2025
Edited
by admin
on Mon Mar 31 23:34:55 GMT 2025
Record UNII
R58WS25F9N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2-DIMETHYL-5-VINYLPYRIDINIUM METHYL SULFATE
Systematic Name English
1,2-DIMETHYL-5-VINYLPYRIDINIUM METHOSULFATE
Preferred Name English
1-METHYL-5-VINYL-2-PICOLINIUM METHYL SULFATE
Systematic Name English
PYRIDINIUM, 5-ETHENYL-1,2-DIMETHYL-, METHYL SULFATE (1:1)
Systematic Name English
N-METHYL-2-METHYL-5-VINYLPYRIDINIUM METHYLSULFATE
Systematic Name English
Code System Code Type Description
FDA UNII
R58WS25F9N
Created by admin on Mon Mar 31 23:34:55 GMT 2025 , Edited by admin on Mon Mar 31 23:34:55 GMT 2025
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PUBCHEM
81330
Created by admin on Mon Mar 31 23:34:55 GMT 2025 , Edited by admin on Mon Mar 31 23:34:55 GMT 2025
PRIMARY
CAS
6920-97-4
Created by admin on Mon Mar 31 23:34:55 GMT 2025 , Edited by admin on Mon Mar 31 23:34:55 GMT 2025
PRIMARY
ECHA (EC/EINECS)
230-031-7
Created by admin on Mon Mar 31 23:34:55 GMT 2025 , Edited by admin on Mon Mar 31 23:34:55 GMT 2025
PRIMARY
EPA CompTox
DTXSID9064502
Created by admin on Mon Mar 31 23:34:55 GMT 2025 , Edited by admin on Mon Mar 31 23:34:55 GMT 2025
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