Basic information
- Standard SMILES
Nc1nccc2ccc(CN3CC[C@@H](N)C3=O)cc12.O=C(O)C(F)(F)F- InChIKey
CIBPKAOKXZTANN-UTONKHPSSA-N- Molecular formula
- C16H17F3N4O3
- Average molar mass
- 370.33 g/mol
Names & identifiers
- Preferred name
- 3-(R)-Amino-1-(1-aminoisoquinolin-7-ylmethyl)pyrrolidin-2-one trifluoroacetate
- IUPAC
- (3R)-3-amino-1-[(1-aminoisoquinolin-7-yl)methyl]pyrrolidin-2-one;2,2,2-trifluoroacetic acid
Names & synonyms
3-(R)-Amino-1-(1-aminoisoquinolin-7-ylmethyl)pyrrolidin-2-one trifluoroacetateSCHEMBL7213717
Database identifiers
- PubChem CID
- 20680693
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 432
Related reactions
1 records
Compound notes
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