Basic information
- CAS
18833-65-3- Standard SMILES
COc1cc2c(OCCC[NH+](C)C)c3c([nH+]c2c(OC)c1OC)CCCCC3.[Cl-].[Cl-]- InChIKey
MUQDDFNISDOULR-UHFFFAOYSA-N- Molecular formula
- C22H34Cl2N2O4
- Average molar mass
- 461.4 g/mol
- Monoisotopic mass
- 460.189563
Names & identifiers
- Preferred name
- 6H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-2,3,4-trimethoxy-, dihydrochloride
- IUPAC
- dimethyl-[3-[(2,3,4-trimethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-5-ium-11-yl)oxy]propyl]azanium dichloride
Names & synonyms
18833-65-36H-Cyclohepta(b)quinoline, 11-(3-(dimethylamino)propoxy)-7,8,9,10-tetrahydro-2,3,4-trimethoxy-, dihydrochlorideRefChem:309540
Database identifiers
- CAS
18833-65-3- PubChem CID
- 29283
Properties
Computed structural properties
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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