Basic information
- CAS
18937-25-2- Standard SMILES
C[NH+](C)CCCSc1c2c([nH+]c3ccccc13)CCCCC2.[Cl-].[Cl-]- InChIKey
ZXLAFRDMXUDOQB-UHFFFAOYSA-N- Molecular formula
- C19H28Cl2N2S
- Average molar mass
- 387.4 g/mol
- Monoisotopic mass
- 386.1350255
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-((3-(dimethylamino)propyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride
- IUPAC
- dimethyl-[3-(7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-ylsulfanyl)propyl]azanium dichloride
Names & synonyms
18937-25-26H-Cyclohepta(b)quinoline, 11-((3-(dimethylamino)propyl)thio)-7,8,9,10-tetrahydro-, dihydrochloride11-((3-(Dimethylamino)propyl)thio)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline 2HClRefChem:309535
Database identifiers
- CAS
18937-25-2- PubChem CID
- 29340
Properties
Computed structural properties
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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