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Details

Stereochemistry ACHIRAL
Molecular Formula C25H48N2O3
Molecular Weight 424.6602
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Carboxylethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-isoheptadecyl-1H-imidazolium inner salt

SMILES

CC(C)CCCCCCCCCCCCCCC1=[N+](CCC([O-])=O)CCN1CCO

InChI

InChIKey=YKMVRPDTLUUGNB-UHFFFAOYSA-N
InChI=1S/C25H48N2O3/c1-23(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-26(18-17-25(29)30)19-20-27(24)21-22-28/h23,28H,3-22H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C25H48N2O3
Molecular Weight 424.6602
Charge 0
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 Mon Mar 31 21:48:50 GMT 2025
Edited
by admin
on Mon Mar 31 21:48:50 GMT 2025
Record UNII
NZ948923N8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-Carboxylethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-isoheptadecyl-1H-imidazolium inner salt
Common Name English
1H-Imidazolium, 1-(2-carboxyethyl)-4,5-dihydro-3-(2-hydroxyethyl)-2-isoheptadecyl-, inner salt
Preferred Name English
Code System Code Type Description
CAS
68630-96-6
Created by admin on Mon Mar 31 21:48:50 GMT 2025 , Edited by admin on Mon Mar 31 21:48:50 GMT 2025
PRIMARY
ECHA (EC/EINECS)
271-929-9
Created by admin on Mon Mar 31 21:48:50 GMT 2025 , Edited by admin on Mon Mar 31 21:48:50 GMT 2025
PRIMARY
EPA CompTox
DTXSID6041214
Created by admin on Mon Mar 31 21:48:50 GMT 2025 , Edited by admin on Mon Mar 31 21:48:50 GMT 2025
PRIMARY
FDA UNII
NZ948923N8
Created by admin on Mon Mar 31 21:48:50 GMT 2025 , Edited by admin on Mon Mar 31 21:48:50 GMT 2025
PRIMARY
PUBCHEM
73556512
Created by admin on Mon Mar 31 21:48:50 GMT 2025 , Edited by admin on Mon Mar 31 21:48:50 GMT 2025
PRIMARY