![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/59158-14-4.gif)
Synonyms
UNII-WK5C0BIA55; C25H55NO4S; AK289418; CTK1G9320; X6769; M1457; 59158-14-4; TR-020531; N-Methyl-N,N-dioctyloctan-1-aminium hydrogensulfate; AKOS015856739;
IUPAC Name
hydrogen sulfate;methyl(trioctyl)azanium;
Molecular Weight
465.778g/mol
Molecular Formula
C25H55NO4S;
Canonical SMILES
CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.OS(=O)(=O)[O-];
InChI
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;
InChI Key
MWSPFHZPVVWJCO-UHFFFAOYSA-M;
Complexity
296
Covalently-Bonded Unit Count
2
Exact Mass
465.385g/mol
H-Bond Acceptor
4
H-Bond Donor
1
Heavy Atom Count
31
Monoisotopic Mass
465.385g/mol
Rotatable Bond Count
21
Topological Polar Surface Area
85.8A^2
UNII
WK5C0BIA55
