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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H46N
Molecular Weight 312.5966
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of CAPRYLISONONYLDIMETHYLAMMONIUM

SMILES

CCCCCCCCCC[N+](C)(C)CCCCCCC(C)C

InChI

InChIKey=KVFJJYLZPBXHHK-UHFFFAOYSA-N
InChI=1S/C21H46N/c1-6-7-8-9-10-11-13-16-19-22(4,5)20-17-14-12-15-18-21(2)3/h21H,6-20H2,1-5H3/q+1

HIDE SMILES / InChI

Molecular Formula C21H46N
Molecular Weight 312.5966
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:50:14 GMT 2025
Edited
by admin
on Mon Mar 31 22:50:14 GMT 2025
Record UNII
GKN5OQS0WU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CAPRYLISONONYLDIMETHYLAMMONIUM
Common Name English
DECYLISONONYLDIMETHYLAMMONIUM
Preferred Name English
N-ISONONYL-N,N-DIMETHYL DECANAMINIUM
Systematic Name English
Code System Code Type Description
CAS
178963-66-1
Created by admin on Mon Mar 31 22:50:14 GMT 2025 , Edited by admin on Mon Mar 31 22:50:14 GMT 2025
PRIMARY
PUBCHEM
9808013
Created by admin on Mon Mar 31 22:50:14 GMT 2025 , Edited by admin on Mon Mar 31 22:50:14 GMT 2025
PRIMARY
FDA UNII
GKN5OQS0WU
Created by admin on Mon Mar 31 22:50:14 GMT 2025 , Edited by admin on Mon Mar 31 22:50:14 GMT 2025
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT