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Details

Stereochemistry ACHIRAL
Molecular Formula C11H17N2O2.I
Molecular Weight 336.1693
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N,N,N-Trimethyl-4-[[(methylamino)carbonyl]oxy]benzenaminium iodide

SMILES

[I-].CNC(=O)OC1=CC=C(C=C1)[N+](C)(C)C

InChI

InChIKey=MQDIHPDDANDCSL-UHFFFAOYSA-N
InChI=1S/C11H16N2O2.HI/c1-12-11(14)15-10-7-5-9(6-8-10)13(2,3)4;/h5-8H,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula HI
Molecular Weight 127.91241
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H17N2O2
Molecular Weight 209.2649
Charge 1
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 Tue Apr 01 20:17:45 GMT 2025
Edited
by admin
on Tue Apr 01 20:17:45 GMT 2025
Record UNII
36ETW2N9V5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N,N,N-Trimethyl-4-[[(methylamino)carbonyl]oxy]benzenaminium iodide
Systematic Name English
NSC-127880
Preferred Name English
Ammonium, (p-hydroxyphenyl)trimethyl-, iodide, methylcarbamate
Systematic Name English
Benzenaminium, N,N,N-trimethyl-4-[[(methylamino)carbonyl]oxy]-, iodide (1:1)
Systematic Name English
(p-Hydroxyphenyl)trimethylammonium iodide methylcarbamate
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20960394
Created by admin on Tue Apr 01 20:17:45 GMT 2025 , Edited by admin on Tue Apr 01 20:17:45 GMT 2025
PRIMARY
FDA UNII
36ETW2N9V5
Created by admin on Tue Apr 01 20:17:45 GMT 2025 , Edited by admin on Tue Apr 01 20:17:45 GMT 2025
PRIMARY
NSC
127880
Created by admin on Tue Apr 01 20:17:45 GMT 2025 , Edited by admin on Tue Apr 01 20:17:45 GMT 2025
PRIMARY
CAS
3983-40-2
Created by admin on Tue Apr 01 20:17:45 GMT 2025 , Edited by admin on Tue Apr 01 20:17:45 GMT 2025
PRIMARY
PUBCHEM
19888
Created by admin on Tue Apr 01 20:17:45 GMT 2025 , Edited by admin on Tue Apr 01 20:17:45 GMT 2025
PRIMARY
Related Record Type Details
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