6H-Cyclohepta(b)quinoline, 2-chloro-11-((2-(diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride
Basic information
- CAS
18833-69-7- Standard SMILES
CC[NH+](CC)CCSc1c2c([nH+]c3ccc(Cl)cc13)CCCCC2.[Cl-].[Cl-]- InChIKey
MXUTWMFSUJKUTG-UHFFFAOYSA-N- Molecular formula
- C20H29Cl3N2S
- Average molar mass
- 435.9 g/mol
- Monoisotopic mass
- 434.111703
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 2-chloro-11-((2-(diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride
- IUPAC
- 2-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]ethyl-diethylazanium dichloride
Names & synonyms
18833-69-76H-Cyclohepta(b)quinoline, 2-chloro-11-((2-(diethylamino)ethyl)thio)-7,8,9,10-tetrahydro-, dihydrochlorideRefChem:309543
Database identifiers
- CAS
18833-69-7- PubChem CID
- 29289
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 377
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Compound notes
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