Synonyms
Molecule Category Salt-form
UNII RMV7NJU3FX
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key CEYYIKYYFSTQRU-UHFFFAOYSA-M
Smiles [Cl-].CCCCCCCCCCCCCC[N+](C)(C)C
InChI
InChI=1S/C17H38N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2,3)4;/h5-17H2,1-4H3;1H/q+1;/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H38N.Cl
Molecular Weight 291.94
AlogP 4.86
Number of Rotational Bond 13.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL109747
FDA SRS RMV7NJU3FX
PubChem 20708
SureChEMBL SCHEMBL69258