Basic information
- CAS
63979-19-1- Standard SMILES
COC(=O)[C@@]1(c2ccccc2)CCC([NH+](C)C)c2ccccc21.[Cl-]- InChIKey
MGJBHISEQPOUJP-MLVYHOMMSA-N- Molecular formula
- C20H24ClNO2
- Average molar mass
- 345.9 g/mol
- Monoisotopic mass
- 345.1495567
Names & identifiers
- Preferred name
- 1-Naphthoic acid, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, methyl ester, hydrochloride, (E)-
- IUPAC
- [(4R)-4-methoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalen-1-yl]-dimethylazanium chloride
Names & synonyms
63979-19-11-Naphthoic acid, 1,2,3,4-tetrahydro-4-(dimethylamino)-1-phenyl-, methyl ester, hydrochloride, (E)-RefChem:1056045trans-1,2,3,4-Tetrahydro-4-carbomethoxy-1-dimethylamino-4-phenylnaphthalene hydrochloride
Database identifiers
- CAS
63979-19-1- PubChem CID
- 45914
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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