Basic information
- CAS
61356-02-3- Standard SMILES
O=C1C2CC=CCC2C(=O)N1CC[NH+]1CCCCC1.[Cl-]- InChIKey
RSYZIXZJAFJIAU-UHFFFAOYSA-N- Molecular formula
- C15H23ClN2O2
- Average molar mass
- 298.81 g/mol
- Monoisotopic mass
- 298.1448057
Names & identifiers
- Preferred name
- 1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(1-piperidinyl)ethyl)-, monohydrochloride
- IUPAC
- 2-(2-piperidin-1-ium-1-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione chloride
Names & synonyms
61356-02-33a,4,7,7a-Tetrahydro-2-(2-(1-piperidinyl)ethyl)-1H-isoindole-1,3(2H)-dione hydrochloride1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-(2-(1-piperidinyl)ethyl)-, monohydrochlorideRefChem:239335
Database identifiers
- CAS
61356-02-3- PubChem CID
- 43607
Properties
Computed structural properties
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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