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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H58N
Molecular Weight 396.7561
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of METHYLDIOCTYLDECYLAMMONIUM

SMILES

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

InChI

InChIKey=MYVITHSYTOYWNR-UHFFFAOYSA-N
InChI=1S/C27H58N/c1-5-8-11-14-17-18-21-24-27-28(4,25-22-19-15-12-9-6-2)26-23-20-16-13-10-7-3/h5-27H2,1-4H3/q+1

HIDE SMILES / InChI

Molecular Formula C27H58N
Molecular Weight 396.7561
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 18:54:56 GMT 2023
Edited
by admin
on Sat Dec 16 18:54:56 GMT 2023
Record UNII
L57VTQ66BY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYLDIOCTYLDECYLAMMONIUM
Systematic Name English
N-METHYL-N,N-DIOCTYL-1-DECANAMINIUM
Systematic Name English
1-DECANAMINIUM, N-METHYL-N,N-DIOCTYL-
Systematic Name English
Code System Code Type Description
FDA UNII
L57VTQ66BY
Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023
PRIMARY
PUBCHEM
18398478
Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023
PRIMARY
CAS
776246-14-1
Created by admin on Sat Dec 16 18:54:57 GMT 2023 , Edited by admin on Sat Dec 16 18:54:57 GMT 2023
PRIMARY
Related Record Type Details
IONIC MOIETY
PARENT -> SALT/SOLVATE
PARENT -> SALT/SOLVATE