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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H12N.I
Molecular Weight 249.0921
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Ethyl-1-methylpyridinium iodide

SMILES

[I-].CCC1=[N+](C)C=CC=C1

InChI

InChIKey=IAOWWFMQTCYIOU-UHFFFAOYSA-M
InChI=1S/C8H12N.HI/c1-3-8-6-4-5-7-9(8)2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C8H12N
Molecular Weight 122.1876
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula HI
Molecular Weight 127.9124
Charge 0
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 Sat Dec 16 19:11:08 GMT 2023
Edited
by admin
on Sat Dec 16 19:11:08 GMT 2023
Record UNII
HH79CK84J5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Ethyl-1-methylpyridinium iodide
Systematic Name English
Pyridinium, 2-ethyl-1-methyl-, iodide
Common Name English
Pyridinium, 2-ethyl-1-methyl-, iodide (1:1)
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID80480684
Created by admin on Sat Dec 16 19:11:08 GMT 2023 , Edited by admin on Sat Dec 16 19:11:08 GMT 2023
PRIMARY
CAS
52806-01-6
Created by admin on Sat Dec 16 19:11:08 GMT 2023 , Edited by admin on Sat Dec 16 19:11:08 GMT 2023
PRIMARY
PUBCHEM
12212117
Created by admin on Sat Dec 16 19:11:08 GMT 2023 , Edited by admin on Sat Dec 16 19:11:08 GMT 2023
PRIMARY
FDA UNII
HH79CK84J5
Created by admin on Sat Dec 16 19:11:08 GMT 2023 , Edited by admin on Sat Dec 16 19:11:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE