Jnj-17166864
Basic information
- CAS
874887-03-3- Standard SMILES
C[N+](C)(Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)C1CCOCC1.[Cl-]- InChIKey
VALRCWBOFWDEDE-UHFFFAOYSA-N- Molecular formula
- C21H25Cl3N2O2
- Average molar mass
- 443.8 g/mol
- Monoisotopic mass
- 442.098161
Names & identifiers
- Preferred name
- Jnj-17166864
- IUPAC
- [4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium chloride
Names & synonyms
JNJ-17166864874887-03-3VF9KM790TYUNII-VF9KM790TY(4-(3,4-Dichlorobenzoylamino)benzyl)dimethyl(tetrahydropyran-4-yl)ammonium chloride2H-Pyran-4-aminium, N-((4-((3,4-dichlorobenzoyl)amino)phenyl)methyl)tetrahydro-N,N-dimethyl-, chloride (1:1)RefChem:150522[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-dimethyl-(oxan-4-yl)azanium;chlorideSCHEMBL313326orb1703329CHEMBL4297292AKOS040745897
Show more names
N-(4-(3,4-dichlorobenzamido)benzyl)-N,N-dimethyltetrahydro-2H-pyran-4-aminium chlorideT24205Q27291804
Database identifiers
- CAS
874887-03-3- PubChem CID
- 11619164
- ChEMBL
CHEMBL4297292- UNII
- VF9KM790TY
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
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Compound notes
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