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

Details

Stereochemistry ACHIRAL
Molecular Formula C23H42N
Molecular Weight 332.5863
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 2-METHYL-4-DODECYLBENZYLTRIMETHYLAMMONIUM

SMILES

CCCCCCCCCCCCC1=CC(C)=C(C[N+](C)(C)C)C=C1

InChI

InChIKey=XIIJNYFARQEMEZ-UHFFFAOYSA-N
InChI=1S/C23H42N/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-18-23(21(2)19-22)20-24(3,4)5/h17-19H,6-16,20H2,1-5H3/q+1

HIDE SMILES / InChI

Molecular Formula C23H42N
Molecular Weight 332.5863
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 10:58:28 GMT 2023
Edited
by admin
on Sat Dec 16 10:58:28 GMT 2023
Record UNII
4H5196TQF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYL-4-DODECYLBENZYLTRIMETHYLAMMONIUM
Systematic Name English
(DODECYLMETHYLBENZYL)TRIMETHYLAMMONIUM
Systematic Name English
BENZENEMETHANAMINIUM, 4-DODECYL-N,N,N,2-TETRAMETHYL-
Systematic Name English
Code System Code Type Description
CAS
1187787-57-0
Created by admin on Sat Dec 16 10:58:29 GMT 2023 , Edited by admin on Sat Dec 16 10:58:29 GMT 2023
PRIMARY
PUBCHEM
20096297
Created by admin on Sat Dec 16 10:58:29 GMT 2023 , Edited by admin on Sat Dec 16 10:58:29 GMT 2023
PRIMARY
FDA UNII
4H5196TQF4
Created by admin on Sat Dec 16 10:58:29 GMT 2023 , Edited by admin on Sat Dec 16 10:58:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID90904624
Created by admin on Sat Dec 16 10:58:29 GMT 2023 , Edited by admin on Sat Dec 16 10:58:29 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY