Synonyms
Status
Molecule Category Free-form
ATC B05CA01 D08AJ03 D09AA07 R02AA06
UNII CUB7JI0JV3
EPA CompTox DTXSID8047979

Structure

InChI Key NEUSVAOJNUQRTM-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCC[n+]1ccccc1
InChI
InChI=1S/C21H38N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22/h15,17-18,20-21H,2-14,16,19H2,1H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H38N+
Molecular Weight 304.54
AlogP 6.46
Number of Rotational Bond 15.0
Polar Surface Area 3.88
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 22.0

Cross References

Resources Reference
CAS NUMBER 7773-52-6
ChEBI 32914
ChEMBL CHEMBL305906
DrugBank DB11073
DrugCentral 3083
FDA SRS CUB7JI0JV3
PubChem 2683
SureChEMBL SCHEMBL122873
ZINC ZINC000006845963