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Details

Stereochemistry RACEMIC
Molecular Formula C41H70N3O.CH3O4S
Molecular Weight 732.111
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 6
Charge 0

SHOW SMILES / InChI
Structure of 2-((8Z,11Z,14Z)-HEPTADECA-8,11,14-TRIEN-1-YL)-1-METHYL-1-(2-((9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENAMIDO)ETHYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-IUM METHYL SULFATE

SMILES

COS([O-])(=O)=O.CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)NCC[N+]1(C)CCN=C1CCCCCCC\C=C/C\C=C/C\C=C/CC

InChI

InChIKey=WEQBWDQALLPFKO-CYLXIOFTSA-N
InChI=1S/C41H69N3O.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-40-42-36-38-44(40,3)39-37-43-41(45)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h6-9,12-15,18-21H,4-5,10-11,16-17,22-39H2,1-3H3;1H3,(H,2,3,4)/b8-6-,9-7-,14-12-,15-13-,20-18-,21-19-;

HIDE SMILES / InChI

Molecular Formula C41H70N3O
Molecular Weight 621.014
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 6
Optical Activity ( + / - )

Molecular Formula CH3O4S
Molecular Weight 111.097
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 Sat Dec 16 10:40:59 GMT 2023
Edited
by admin
on Sat Dec 16 10:40:59 GMT 2023
Record UNII
LJ6DNY323G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((8Z,11Z,14Z)-HEPTADECA-8,11,14-TRIEN-1-YL)-1-METHYL-1-(2-((9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENAMIDO)ETHYL)-4,5-DIHYDRO-1H-IMIDAZOL-1-IUM METHYL SULFATE
Systematic Name English
4,5-DIHYDRO-1-METHYL-2-NORLINOLENYL-1-(2-LINOLENYL AMIDOETHYL)IMIDAZOLIUM COMPOUNDS, METHYL SULFATE
Common Name English
Code System Code Type Description
PUBCHEM
139033131
Created by admin on Sat Dec 16 10:40:59 GMT 2023 , Edited by admin on Sat Dec 16 10:40:59 GMT 2023
PRIMARY
FDA UNII
LJ6DNY323G
Created by admin on Sat Dec 16 10:40:59 GMT 2023 , Edited by admin on Sat Dec 16 10:40:59 GMT 2023
PRIMARY