Basic information
- CAS
93017-48-2- Standard SMILES
O=C1c2cc(Cl)ccc2CCC1C[NH+]1CCCCC1.[Cl-]- InChIKey
PRUNLTQWACWKOG-UHFFFAOYSA-N- Molecular formula
- C16H21Cl2NO
- Average molar mass
- 314.2 g/mol
- Monoisotopic mass
- 313.1000197
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 3,4-dihydro-7-chloro-2-(piperidinomethyl)-, hydrochloride
- IUPAC
- 7-chloro-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
Names & synonyms
3,4-Dihydro-7-chloro-2-(piperidinomethyl)-1(2H)-naphthalenone hydrochlorideN-6971(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-CHLORO-2-(PIPERIDINOMETHYL)-, HYDROCHLORIDE93017-48-2RefChem:211530
Database identifiers
- CAS
93017-48-2- PubChem CID
- 56517
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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