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Details

Stereochemistry ACHIRAL
Molecular Formula C12H18NO3
Molecular Weight 224.2762
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 4-Hydroxybenzoylcholine

SMILES

C[N+](C)(C)CCOC(=O)C1=CC=C(O)C=C1

InChI

InChIKey=BAPAICNRGIBFJT-UHFFFAOYSA-O
InChI=1S/C12H17NO3/c1-13(2,3)8-9-16-12(15)10-4-6-11(14)7-5-10/h4-7H,8-9H2,1-3H3/p+1

HIDE SMILES / InChI

Molecular Formula C12H17NO3
Molecular Weight 223.2683
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 21:48:44 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:44 GMT 2025
Record UNII
794QT4G4B2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-[(4-Hydroxybenzoyl)oxy]-N,N,N-trimethylethanaminium
Preferred Name English
4-Hydroxybenzoylcholine
Systematic Name English
p-Hydroxybenzoylcholine
Systematic Name English
Ethanaminium, 2-[(4-hydroxybenzoyl)oxy]-N,N,N-trimethyl-
Systematic Name English
Code System Code Type Description
FDA UNII
794QT4G4B2
Created by admin on Mon Mar 31 21:48:44 GMT 2025 , Edited by admin on Mon Mar 31 21:48:44 GMT 2025
PRIMARY
PUBCHEM
151252
Created by admin on Mon Mar 31 21:48:44 GMT 2025 , Edited by admin on Mon Mar 31 21:48:44 GMT 2025
PRIMARY
EPA CompTox
DTXSID40198970
Created by admin on Mon Mar 31 21:48:44 GMT 2025 , Edited by admin on Mon Mar 31 21:48:44 GMT 2025
PRIMARY
CAS
5094-31-5
Created by admin on Mon Mar 31 21:48:44 GMT 2025 , Edited by admin on Mon Mar 31 21:48:44 GMT 2025
PRIMARY