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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H31N2O.CH3O4S
Molecular Weight 354.506
Optical Activity NONE
Defined Stereocenters 0 / 0
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

Approval Year

Unknown
139594
Name Type Language
3-OCTANOYLAMINOPROPYLTRIMETHYLAMMONIUM METHYLSULFATE
Systematic Name English
1-PROPANAMINIUM, N,N,N-TRIMETHYL-3-((1-OXOOCTYL)AMINO)-, METHYL SULFATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
20545194
Created by admin on Sat Dec 16 18:59:52 GMT 2023 , Edited by admin on Sat Dec 16 18:59:52 GMT 2023
PRIMARY
CAS
239077-23-7
Created by admin on Sat Dec 16 18:59:52 GMT 2023 , Edited by admin on Sat Dec 16 18:59:52 GMT 2023
PRIMARY
FDA UNII
A2Q5BR8LDF
Created by admin on Sat Dec 16 18:59:52 GMT 2023 , Edited by admin on Sat Dec 16 18:59:52 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966