2H-Quinolizin-2-ol, octahydro-2-phenyl-, propionate (ester), hydrochloride, trans-
Basic information
- CAS
20092-35-7- Standard SMILES
CCC(=O)O[C@]1(c2ccccc2)CCN2CCCC[C@@H]2C1.Cl- InChIKey
GNYFGQNTMNZBME-PHJLCXHGSA-N- Molecular formula
- C18H26ClNO2
- Average molar mass
- 323.9 g/mol
- Monoisotopic mass
- 323.1652068
Names & identifiers
- Preferred name
- 2H-Quinolizin-2-ol, octahydro-2-phenyl-, propionate (ester), hydrochloride, trans-
- IUPAC
- [(2R,9aR)-2-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl] propanoate;hydrochloride
Names & synonyms
20092-35-72H-Quinolizin-2-ol, octahydro-2-phenyl-, propionate (ester), hydrochloride, trans-RefChem:1065337trans-Octahydro-2-phenyl-2H-quinolizin-2-ol propionate hydrochloride2H-Quinolizin-2-equatorial-ol, octahydro-2-axial-phenyl-, propionate, hydrochlorideDTXSID309421212-Phenyloctahydro-2H-quinolizin-2-yl propanoate--hydrogen chloride (1/1)(2R,9aR)-2-Phenyloctahydro-2H-quinolizin-2-yl propanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
20092-35-7- PubChem CID
- 209665
- DTXSID
DTXSID30942121
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
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Related reactions
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Compound notes
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