6H-Cyclohepta(b)quinoline, 11-(2-(diethylamino)ethoxy)-7,8,9,10-tetrahydro-3-methoxy-, dihydrochloride
Basic information
- CAS
18833-61-9- Standard SMILES
CC[NH+](CC)CCOc1c2c([nH+]c3cc(OC)ccc13)CCCCC2.[Cl-].[Cl-]- InChIKey
KSIDLADLZOQRHC-UHFFFAOYSA-N- Molecular formula
- C21H32Cl2N2O2
- Average molar mass
- 415.4 g/mol
- Monoisotopic mass
- 414.1840837
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-(2-(diethylamino)ethoxy)-7,8,9,10-tetrahydro-3-methoxy-, dihydrochloride
- IUPAC
- diethyl-[2-[(3-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]ethyl]azanium dichloride
Names & synonyms
18833-61-911-(2-(Diethylamino)ethoxy)-7,8,9,10-tetrahydro-3-methoxy-6H-cyclohepta(b)quinoline 2HCl6H-Cyclohepta(b)quinoline, 11-(2-(diethylamino)ethoxy)-7,8,9,10-tetrahydro-3-methoxy-, dihydrochlorideRefChem:309537
Database identifiers
- CAS
18833-61-9- PubChem CID
- 29277
Properties
Computed structural properties
- Topological polar surface area
- 37 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 388
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