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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H40N
Molecular Weight 318.5597
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of P-LAURYLBENZYLTRIMETHYLAMMONIUM

SMILES

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

InChI

InChIKey=QBHPUAZVNMMJCX-UHFFFAOYSA-N
InChI=1S/C22H40N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-18-22(19-17-21)20-23(2,3)4/h16-19H,5-15,20H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C22H40N
Molecular Weight 318.5597
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 20:50:39 GMT 2025
Edited
by admin
on Mon Mar 31 20:50:39 GMT 2025
Record UNII
H429A84I11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
P-LAURYLBENZYLTRIMETHYLAMMONIUM
Common Name English
P-LAURYLBENZYLTRIMETHYLAMMONIUM CATION
Preferred Name English
BENZENEMETHANAMINIUM, 4-DODECYL-N,N,N-TRIMETHYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00197101
Created by admin on Mon Mar 31 20:50:39 GMT 2025 , Edited by admin on Mon Mar 31 20:50:39 GMT 2025
PRIMARY
PUBCHEM
52034
Created by admin on Mon Mar 31 20:50:39 GMT 2025 , Edited by admin on Mon Mar 31 20:50:39 GMT 2025
PRIMARY
FDA UNII
H429A84I11
Created by admin on Mon Mar 31 20:50:39 GMT 2025 , Edited by admin on Mon Mar 31 20:50:39 GMT 2025
PRIMARY
CAS
47312-91-4
Created by admin on Mon Mar 31 20:50:39 GMT 2025 , Edited by admin on Mon Mar 31 20:50:39 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
IONIC MOIETY
Related Record Type Details
ACTIVE MOIETY