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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H20NO.Br
Molecular Weight 274.197
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2-(P-TOLOXY)ETHYL)TRIMETHYLAMMONIUM BROMIDE

SMILES

[Br-].CC1=CC=C(OCC[N+](C)(C)C)C=C1

InChI

InChIKey=APXGBKBMFMHJET-UHFFFAOYSA-M
InChI=1S/C12H20NO.BrH/c1-11-5-7-12(8-6-11)14-10-9-13(2,3)4;/h5-8H,9-10H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-23007
Preferred Name English
(2-(P-TOLOXY)ETHYL)TRIMETHYLAMMONIUM BROMIDE
Systematic Name English
AMMONIUM, TRIMETHYL(2-(P-TOLYLOXY)ETHYL)-, BROMIDE
Common Name English
BETA-(P-TOLOXY)ETHYLTRIMETHYLAMMONIUM BROMIDE
Common Name English
TRIMETHYL(2-P-TOLYLOXYETHYL)AMMONIUM BROMIDE
Common Name English
AMMONIUM, (2-(P-TOLYLOXY)ETHYL)TRIMETHYL-, BROMIDE
Systematic Name English
Code System Code Type Description
NSC
23007
Created by admin on Wed Apr 02 13:30:23 GMT 2025 , Edited by admin on Wed Apr 02 13:30:23 GMT 2025
PRIMARY
CAS
6974-08-9
Created by admin on Wed Apr 02 13:30:23 GMT 2025 , Edited by admin on Wed Apr 02 13:30:23 GMT 2025
PRIMARY
PUBCHEM
23412
Created by admin on Wed Apr 02 13:30:23 GMT 2025 , Edited by admin on Wed Apr 02 13:30:23 GMT 2025
PRIMARY
FDA UNII
4Z4QD8A5JG
Created by admin on Wed Apr 02 13:30:23 GMT 2025 , Edited by admin on Wed Apr 02 13:30:23 GMT 2025
PRIMARY
EPA CompTox
DTXSID80989905
Created by admin on Wed Apr 02 13:30:23 GMT 2025 , Edited by admin on Wed Apr 02 13:30:23 GMT 2025
PRIMARY