(3aS,9bR)-6-Chloro-4-methyl-8-propyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CCCc1cc(Cl)c2c(c1)[C@@H]1CNC[C@H]1N(C)C2=O.Cl- InChIKey
YNSCBTNYIUOORQ-STEACBGWSA-N- Molecular formula
- C15H20Cl2N2O
- Average molar mass
- 315.2 g/mol
Names & identifiers
- Preferred name
- (3aS,9bR)-6-Chloro-4-methyl-8-propyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
- IUPAC
- (3aS,9bR)-6-chloro-4-methyl-8-propyl-2,3,3a,9b-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5-one;hydrochloride
Names & synonyms
SCHEMBL4467012YNSCBTNYIUOORQ-STEACBGWSA-N(3aS,9bR)-6-Chloro-4-methyl-8-propyl-2,3,3a,4-tetrahydro-1H-pyrrolo[3,4-c]isoquinolin-5(9bH)-one hydrochloride
Database identifiers
- PubChem CID
- 11638235
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
Related reactions
1 records
Compound notes
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