Basic information
- CAS
101931-40-2- Standard SMILES
C[NH+]1CCN(CC2CCc3ccccc3C2=O)CC1.[Cl-]- InChIKey
LFWILRTVGVSNBK-UHFFFAOYSA-N- Molecular formula
- C16H23ClN2O
- Average molar mass
- 294.82 g/mol
- Monoisotopic mass
- 294.1498911
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 3,4-dihydro-2-((4-methyl-1-piperazinyl)methyl)-, hydrochloride
- IUPAC
- 2-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-naphthalen-1-one chloride
Names & synonyms
N-6581(2H)-Naphthalenone, 3,4-dihydro-2-((4-methyl-1-piperazinyl)methyl)-, hydrochloride3,4-Dihydro-2-((4-methyl-1-piperazinyl)methyl)-1(2H)-naphthalenone hydrochloride101931-40-2RefChem:211495
Database identifiers
- CAS
101931-40-2- PubChem CID
- 59149
Properties
Computed structural properties
- Topological polar surface area
- 24.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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