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

Details

Stereochemistry ACHIRAL
Molecular Formula C25H54N.HO4S
Molecular Weight 465.774
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTRICAPRYLYLAMMONIUM BISULFATE

SMILES

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

InChI

InChIKey=MWSPFHZPVVWJCO-UHFFFAOYSA-M
InChI=1S/C25H54N.H2O4S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-5(2,3)4/h5-25H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYLTRICAPRYLYLAMMONIUM BISULFATE
Systematic Name English
1-OCTANAMINIUM, N-METHYL-N,N-DIOCTYL-, SULFATE (1:1)
Systematic Name English
TRIOCTYLMETHYLAMMONIUM HYDROGEN SULFATE
Systematic Name English
TRIOCTYLMETHYLAMMONIUM BISULFATE
Systematic Name English
METHYLTRIOCTYLAMMONIUM HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
PUBCHEM
10939560
Created by admin on Sat Dec 16 11:26:03 UTC 2023 , Edited by admin on Sat Dec 16 11:26:03 UTC 2023
PRIMARY
FDA UNII
WK5C0BIA55
Created by admin on Sat Dec 16 11:26:03 UTC 2023 , Edited by admin on Sat Dec 16 11:26:03 UTC 2023
PRIMARY
CAS
59158-14-4
Created by admin on Sat Dec 16 11:26:03 UTC 2023 , Edited by admin on Sat Dec 16 11:26:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID70449043
Created by admin on Sat Dec 16 11:26:03 UTC 2023 , Edited by admin on Sat Dec 16 11:26:03 UTC 2023
PRIMARY