U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C26H48N.Cl
Molecular Weight 410.119
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-DODECYL-N,N-DIMETHYL-N-ETHYLBENZYL AMMONIUM CHLORIDE

SMILES

[Cl-].CCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(CC)C=C1

InChI

InChIKey=NZGIGWACCBNWFJ-UHFFFAOYSA-M
InChI=1S/C26H48N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-23-27(3,4)24-26-21-19-25(6-2)20-22-26;/h19-22H,5-18,23-24H2,1-4H3;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C26H48N
Molecular Weight 374.666
Charge 1
Count
Stereochemistry RACEMIC
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 07:53:38 GMT 2023
Edited
by admin
on Sat Dec 16 07:53:38 GMT 2023
Record UNII
Q82IC0U9JG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-DODECYL-N,N-DIMETHYL-N-ETHYLBENZYL AMMONIUM CHLORIDE
Common Name English
Code System Code Type Description
PUBCHEM
131634591
Created by admin on Sat Dec 16 07:53:38 GMT 2023 , Edited by admin on Sat Dec 16 07:53:38 GMT 2023
PRIMARY
FDA UNII
Q82IC0U9JG
Created by admin on Sat Dec 16 07:53:38 GMT 2023 , Edited by admin on Sat Dec 16 07:53:38 GMT 2023
PRIMARY