Basic information
- Standard SMILES
Nc1cc[n+](Cc2ccc(OC(CCc3ccccc3)c3ccccc3)cc2)cc1- InChIKey
LILGRJLPBXAQRR-UHFFFAOYSA-O- Molecular formula
- C27H27N2O+
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- 4-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridinium
- IUPAC
- 1-[[4-(1,3-diphenylpropoxy)phenyl]methyl]pyridin-1-ium-4-amine
Names & synonyms
CHEMBL47481BDBM500707874-Amino-1-[4-(1,3-diphenyl-propoxy)-benzyl]-pyridinium
Database identifiers
- PubChem CID
- 44292003
- ChEMBL
CHEMBL47481
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 1
- Complexity
- 455
Related reactions
1 records
Compound notes
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