Structure

InChI Key YXUPZGKORWTXID-UHFFFAOYSA-N
Smile CCCCCCCCCCCC[N+](C)(C)CCOc1ccccc1
InChI
InChI=1S/C22H40NO/c1-4-5-6-7-8-9-10-11-12-16-19-23(2,3)20-21-24-22-17-14-13-15-18-22/h13-15,17-18H,4-12,16,19-21H2,1-3H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H40NO+
Molecular Weight 334.57
AlogP 6.06
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 15.0
Polar Surface Area 9.23
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 135978
ChEMBL CHEMBL1187011
DrugBank DB11594
DrugCentral 4463
EPA CompTox DTXSID2048080
FDA SRS 4AZL56CU0F
PubChem 3149
SureChEMBL SCHEMBL1702653
ZINC ZINC000006845992