Basic information
- Standard SMILES
O=C(O)/C=C/C(=O)O.c1cc(N[C@@H]2CCNC2)c2ccncc2c1- InChIKey
YXDKMFBXPHOTKP-KGLGULAYSA-N- Molecular formula
- C17H19N3O4
- Average molar mass
- 329.35 g/mol
Names & identifiers
- Preferred name
- (R)-N-(pyrrolidin-3-yl)isoquinolin-5-amine Fumaric Acid Salt
- IUPAC
- (E)-but-2-enedioic acid;N-[(3R)-pyrrolidin-3-yl]isoquinolin-5-amine
Names & synonyms
SCHEMBL1509258YXDKMFBXPHOTKP-KGLGULAYSA-N(R)-N-(pyrrolidin-3-yl)isoquinolin-5-amine Fumaric Acid Salt
Database identifiers
- PubChem CID
- 44594457
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 350
Related reactions
1 records
Compound notes
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