Basic information
- CAS
18833-70-0- Standard SMILES
C[NH+](C)CCCSc1c2c([nH+]c3ccc(Cl)cc13)CCCCC2.[Cl-].[Cl-]- InChIKey
FNYNHBCVAUXHSO-UHFFFAOYSA-N- Molecular formula
- C19H27Cl3N2S
- Average molar mass
- 421.9 g/mol
- Monoisotopic mass
- 420.096053
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 2-chloro-11-((3-(dimethylamino)propyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride
- IUPAC
- 3-[(2-chloro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)sulfanyl]propyl-dimethylazanium dichloride
Names & synonyms
18833-70-06H-Cyclohepta(b)quinoline, 2-chloro-11-((3-(dimethylamino)propyl)thio)-7,8,9,10-tetrahydro-, dihydrochlorideRefChem:309546
Database identifiers
- CAS
18833-70-0- PubChem CID
- 29291
Properties
Computed structural properties
- Topological polar surface area
- 43.9 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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