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Basic information
- Standard SMILES
C=C[C@H]1CN2CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O- InChIKey
AKYHKWQPZHDOBW-KYNMMFKBSA-N- Molecular formula
- C20H26N2O6S
- Average molar mass
- 422.5 g/mol
- Monoisotopic mass
- 422.15115773
Names & identifiers
- Preferred name
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
- IUPAC
- (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
Names & synonyms
SCHEMBL1650841AKYHKWQPZHDOBW-KYNMMFKBSA-N(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
Database identifiers
- PubChem CID
- 12948
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 538
Related reactions
1 records
Compound notes
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