Basic information
- CAS
5546-63-4- Standard SMILES
C[NH+](C)CCCOc1c2c([nH+]c3c(Cl)cccc13)CCCCC2.[Cl-].[Cl-]- InChIKey
SHJOPHBRMMRNRO-UHFFFAOYSA-N- Molecular formula
- C19H27Cl3N2O
- Average molar mass
- 405.8 g/mol
- Monoisotopic mass
- 404.118897
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 4-chloro-11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-, dihydrochloride
- IUPAC
- 3-[(4-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl-dimethylazanium dichloride
Names & synonyms
5546-63-46H-Cyclohepta(b)quinoline, 4-chloro-11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-, dihydrochloride4-Chloro-11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline 2HClRefChem:309555
Database identifiers
- CAS
5546-63-4- PubChem CID
- 21709
Properties
Computed structural properties
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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