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Details

Stereochemistry ACHIRAL
Molecular Formula C19H41N2OS.Br
Molecular Weight 425.511
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[2-[(Ethylamino)thioxomethoxy]ethyl]-N,N-dimethyl-1-dodecanaminium bromide

SMILES

[Br-].CCCCCCCCCCCC[N+](C)(C)CCOC(=S)NCC

InChI

InChIKey=BEDNUESRYZXDRE-UHFFFAOYSA-N
InChI=1S/C19H40N2OS.BrH/c1-5-7-8-9-10-11-12-13-14-15-16-21(3,4)17-18-22-19(23)20-6-2;/h5-18H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C19H41N2OS
Molecular Weight 345.607
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula Br
Molecular Weight 79.904
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 13:45:06 GMT 2025
Edited
by admin
on Wed Apr 02 13:45:06 GMT 2025
Record UNII
94U6GGG7WS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[2-[(Ethylamino)thioxomethoxy]ethyl]-N,N-dimethyl-1-dodecanaminium bromide
Systematic Name English
1-Dodecanaminium, N-[2-[(ethylamino)thioxomethoxy]ethyl]-N,N-dimethyl-, bromide
Preferred Name English
1-Dodecanaminium, N-[2-[(ethylamino)thioxomethoxy]ethyl]-N,N-dimethyl-, bromide (1:1)
Systematic Name English
2-(Ethylthiocarbamyloxy)ethyldimethyldodecylammonium bromide
Systematic Name English
2-(Ethylthiocarbamyloxy)ethyldodecyldimethylammonium bromide
Systematic Name English
Code System Code Type Description
FDA UNII
94U6GGG7WS
Created by admin on Wed Apr 02 13:45:06 GMT 2025 , Edited by admin on Wed Apr 02 13:45:06 GMT 2025
PRIMARY
PUBCHEM
3032912
Created by admin on Wed Apr 02 13:45:06 GMT 2025 , Edited by admin on Wed Apr 02 13:45:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID20956050
Created by admin on Wed Apr 02 13:45:06 GMT 2025 , Edited by admin on Wed Apr 02 13:45:06 GMT 2025
PRIMARY
CAS
34523-95-0
Created by admin on Wed Apr 02 13:45:06 GMT 2025 , Edited by admin on Wed Apr 02 13:45:06 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE