Structure

InChI Key ZRYHPQCHHOKSMD-UHFFFAOYSA-N
Smile C[N+]1(C)CCN(CC(O)(c2ccccc2)C2CCCCC2)CC1
InChI
InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H33N2O+
Molecular Weight 317.5
AlogP 2.85
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 23.47
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 5707
ChEMBL CHEMBL1201325
DrugBank DB06787
DrugCentral 1371
FDA SRS LL3147PI1T
Guide to Pharmacology 323
KEGG C07811
PubChem 24199
SureChEMBL SCHEMBL934371