Basic information
- CAS
80276-07-9- Standard SMILES
C[NH+]1CCC=C2c3ccccc3C(OC(=O)c3ccccc3)C21.[Cl-]- InChIKey
DHHOMBKMDILGMW-UHFFFAOYSA-N- Molecular formula
- C20H20ClNO2
- Average molar mass
- 341.8 g/mol
- Monoisotopic mass
- 341.1182566
Names & identifiers
- Preferred name
- 1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, benzoate (ester), monohydrochloride
- IUPAC
- (1-methyl-2,3,9,9a-tetrahydro-1H-indeno[2,3-b]pyridin-1-ium-9-yl) benzoate chloride
Names & synonyms
80276-07-91-Methyl-9-benzoyloxy-1,2,3,9a-tetrahydro-1-azafluorene hydrochloride2,3,9,9a-Tetrahydro-1-methyl-1H-indeno(2,1-b)pyridin-9-ol benzoate hydrochloride1H-Indeno(2,1-b)pyridin-9-ol, 2,3,9,9a-tetrahydro-1-methyl-, benzoate (ester), monohydrochlorideRefChem:238628
Database identifiers
- CAS
80276-07-9- PubChem CID
- 54554
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 480
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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