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Details

Stereochemistry ACHIRAL
Molecular Formula C13H15N2O.I
Molecular Weight 342.1755
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of N-[2-(3,4-Dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline iodide

SMILES

[I-].CC1=COC(\C=C\NC2=CC=CC=C2)=[N+]1C

InChI

InChIKey=MAQWKZSXWNXMPC-UHFFFAOYSA-N
InChI=1S/C13H14N2O.HI/c1-11-10-16-13(15(11)2)8-9-14-12-6-4-3-5-7-12;/h3-10H,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C13H15N2O
Molecular Weight 215.271
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula I
Molecular Weight 126.90447
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 19:47:26 GMT 2025
Edited
by admin
on Wed Apr 02 19:47:26 GMT 2025
Record UNII
LY7YN4R63F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-[2-(3,4-Dimethyl-1,3-oxazol-3-ium-2-yl)ethenyl]aniline iodide
Systematic Name English
Quaternium-45
Preferred Name English
Oxazolium, 3,4-dimethyl-2-[2-(phenylamino)ethenyl]-, iodide
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
244-158-0
Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025
PRIMARY
FDA UNII
LY7YN4R63F
Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025
PRIMARY
PUBCHEM
159902
Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025
PRIMARY
CAS
21034-17-3
Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025
PRIMARY
EPA CompTox
DTXSID50943332
Created by admin on Wed Apr 02 19:47:26 GMT 2025 , Edited by admin on Wed Apr 02 19:47:26 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE