Basic information
- CAS
94381-98-3- Standard SMILES
Cc1cc2c(cc1C)C(C)CC(C[NH+]1CCCCC1)C2=O.[Cl-]- InChIKey
QEPWEYNBEWQVHW-UHFFFAOYSA-N- Molecular formula
- C19H28ClNO
- Average molar mass
- 321.9 g/mol
- Monoisotopic mass
- 321.1859422
Names & identifiers
- Preferred name
- 1(2H)-Naphthalenone, 3,4-dihydro-4,6,7-trimethyl-2-(piperidinomethyl)-, hydrochloride
- IUPAC
- 4,6,7-trimethyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
Names & synonyms
N-6951(2H)-Naphthalenone, 3,4-dihydro-4,6,7-trimethyl-2-(piperidinomethyl)-, hydrochloride3,4-Dihydro-4,6,7-trimethyl-2-(piperidinomethyl)-1(2H)-naphthalenone hydrochloride94381-98-3RefChem:211512
Database identifiers
- CAS
94381-98-3- PubChem CID
- 56752
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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