[1-[3-(3-Chlorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol

HCID 11613595
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCOc3cccc(Cl)c3)(CC1)CC2
InChIKey
ARCLHXFXUKQPSL-UHFFFAOYSA-N
Molecular formula
C29H33ClNO2+
Average molar mass
463 g/mol
Monoisotopic mass
462.219982

Names & identifiers

Preferred name
[1-[3-(3-Chlorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol
IUPAC
[1-[3-(3-chlorophenoxy)propyl]-1-azoniabicyclo[2.2.2]octan-4-yl]-diphenylmethanol

Names & synonyms

SCHEMBL17964493

Database identifiers

PubChem CID
11613595

Properties

Computed structural properties

XLogP
6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
8
Heavy atoms
33

Related reactions

1 records
New reaction record

Compound notes

Loading…