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Details

Stereochemistry ACHIRAL
Molecular Formula C14H31N2O.CH3O4S
Molecular Weight 354.506
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-OCTANOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYLSULFATE

SMILES

COS([O-])(=O)=O.CCCCCCCC(=O)NCCC[N+](C)(C)C

InChI

InChIKey=OOVLMVDPYXLJJZ-UHFFFAOYSA-N
InChI=1S/C14H30N2O.CH4O4S/c1-5-6-7-8-9-11-14(17)15-12-10-13-16(2,3)4;1-5-6(2,3)4/h5-13H2,1-4H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H31N2O
Molecular Weight 243.4087
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 Wed Apr 02 13:12:17 GMT 2025
Edited
by admin
on Wed Apr 02 13:12:17 GMT 2025
Record UNII
A2Q5BR8LDF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-((1-OXOOCTYL)AMINO)-, METHYL SULFATE (1:1)
Preferred Name English
3-OCTANOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYLSULFATE
Systematic Name English
Code System Code Type Description
PUBCHEM
20545194
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY
CAS
239077-23-7
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY
FDA UNII
A2Q5BR8LDF
Created by admin on Wed Apr 02 13:12:17 GMT 2025 , Edited by admin on Wed Apr 02 13:12:17 GMT 2025
PRIMARY