Basic information
- CAS
39787-49-0- Standard SMILES
C[NH+](C)[C@H]1CCc2ccccc2[C@H]1OC(=O)c1ccccc1.[Cl-]- InChIKey
FTVLIUAUWUINLT-CJRXIRLBSA-N- Molecular formula
- C19H22ClNO2
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1339066
Names & identifiers
- Preferred name
- 1-Naphthol, 1,2,3,4-tetrahydro-2-(dimethylamino)-, benzoate (ester), hydrochloride, (1R-cis)-
- IUPAC
- [(1R,2S)-1-benzoyloxy-1,2,3,4-tetrahydronaphthalen-2-yl]-dimethylazanium chloride
Names & synonyms
1-Naphthol, 1,2,3,4-tetrahydro-2-(dimethylamino)-, benzoate (ester), hydrochloride, (1R-cis)-RefChem:105605039787-49-0YAU-17 hydrochloridel-Yau-17(+-)-cis-1,2,3,4-Tetrahydro-2-(dimethylamino)-1-naphthol benzoate hydrochloride(+-)-Yau 1758782-65-3dl-cis-2-Dimethylamino-1,2,3,4-tetrahydro-1-naphthol benzoate hydrochloride(1R-cis)-1,2,3,4-Tetrahydro-2-(dimethylamino)-1-naphthol benzoate hydrochloride1-Naphthol, 1,2,3,4-tetrahydro-2-dimethylamino-, benzoate, hydrochloride, dl-(Z)-1-Naphthalenol, 2-(dimethylamino)-1,2,3,4-tetrahydro-, benzoate (ester), hydrchloride, cis-(-)-
Database identifiers
- CAS
39787-49-0、58782-65-3- PubChem CID
- 38342
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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