Basic information
- CAS
18833-67-5- Standard SMILES
CC[NH+](CC)CCSc1c2c([nH+]c3ccccc13)CCCCC2.[Cl-].[Cl-]- InChIKey
WDZLGFAMECXLDR-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N2S
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 400.1506755
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-((2-(diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride
- IUPAC
- diethyl-[2-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-ylsulfanyl)ethyl]azanium dichloride
Names & synonyms
18833-67-56H-Cyclohepta(b)quinoline, 11-((2-(diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride11-((2-(Diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline 2HClRefChem:309532
Database identifiers
- CAS
18833-67-5- PubChem CID
- 29286
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…