1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-2-(piperidinomethyl)-, hydrochloride
Basic information
- CAS
94710-40-4- Standard SMILES
COc1ccc2c(c1)C(=O)C(C[NH+]1CCCCC1)CC2.[Cl-]- InChIKey
IBNISTSUCLUCMO-UHFFFAOYSA-N- Molecular formula
- C17H24ClNO2
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1495567
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 3,4-dihydro-7-methoxy-2-(piperidinomethyl)-, hydrochloride
- IUPAC
- 7-methoxy-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
Names & synonyms
3,4-Dihydro-7-methoxy-2-(piperidinomethyl)-1(2H)-naphthalenone hydrochlorideN-6811(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-METHOXY-2-(PIPERIDINOMETHYL)-, HYDROCHLORIDE94710-40-4RefChem:211532
Database identifiers
- CAS
94710-40-4- PubChem CID
- 56797
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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