Basic information
- CAS
18833-63-1- Standard SMILES
C[NH+](C)CCCOc1c2c([nH+]c3cc(C(F)(F)F)ccc13)CCCCC2.[Cl-].[Cl-]- InChIKey
MQENDMXFHJIPCA-UHFFFAOYSA-N- Molecular formula
- C20H27Cl2F3N2O
- Average molar mass
- 439.3 g/mol
- Monoisotopic mass
- 438.1452534
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-(trifluoromethyl)-, dihydrochloride
- IUPAC
- dimethyl-[3-[[3-(trifluoromethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl]oxy]propyl]azanium dichloride
Names & synonyms
18833-63-16H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-3-(trifluoromethyl)-, dihydrochlorideRefChem:309541
Database identifiers
- CAS
18833-63-1- PubChem CID
- 29280
Properties
Computed structural properties
- Topological polar surface area
- 27.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 443
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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