Basic information
- Standard SMILES
CCOc1cncc(N2CCC3CCC(C2)N3C)c1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O- InChIKey
FIWVRGGYXIALQA-LVEZLNDCSA-N- Molecular formula
- C23H31N3O9
- Average molar mass
- 493.5 g/mol
Names & identifiers
- Preferred name
- 3-[5-Ethoxy-(3-pyridyl)]-9-methyl-3,9-diazabicyclo-[4.2.1]-nonane bis-fumaric Acid Salt
- IUPAC
- bis((E)-but-2-enedioic acid);3-(5-ethoxy-3-pyridinyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
Names & synonyms
SCHEMBL6630133FIWVRGGYXIALQA-LVEZLNDCSA-N3-[5-Ethoxy-(3-pyridyl)]-9-methyl-3,9-diazabicyclo-[4.2.1]-nonane bis-fumaric Acid Salt3-[5-Ethoxy-(3-pyridyl)]-9-methyl-3.9-diazabicyclo-[4.2.1]-nonane bis-fumaric acid salt
Database identifiers
- PubChem CID
- 69845309
Properties
Computed structural properties
- Topological polar surface area
- 178 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 418
Related reactions
1 records
Compound notes
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