1-(5-carboxy-pentyl)-2-[(E)-2-(7-diethylamino-2-oxo-2H-chromen-3-yl)-vinyl]-pyridinium Bromide
Basic information
- Standard SMILES
CCN(CC)c1ccc2cc(/C=C/c3cccc[n+]3CCCCCC(=O)O)c(=O)oc2c1.[Br-]- InChIKey
SRQNDOPCWGCVMP-UHFFFAOYSA-N- Molecular formula
- C26H31BrN2O4
- Average molar mass
- 515.4 g/mol
- Monoisotopic mass
- 514.14672
Names & identifiers
- Preferred name
- 1-(5-carboxy-pentyl)-2-[(E)-2-(7-diethylamino-2-oxo-2H-chromen-3-yl)-vinyl]-pyridinium Bromide
- IUPAC
- 6-[2-[(E)-2-[7-(diethylamino)-2-oxochromen-3-yl]ethenyl]pyridin-1-ium-1-yl]hexanoic acid bromide
Names & synonyms
SCHEMBL3922407SRQNDOPCWGCVMP-UHFFFAOYSA-N1-(5-carboxy-pentyl)-2-[(E)-2-(7-diethylamino-2-oxo-2H-chromen-3-yl)-vinyl]-pyridinium Bromide1-(5-carboxy-pentyl)-2-[(E)-2-(7-diethylamino-2-oxo-2H-chromen3-yl)-vinyl]-pyridinium bromide
Database identifiers
- PubChem CID
- 10239355
Properties
Computed structural properties
- Topological polar surface area
- 70.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 685
Related reactions
1 records
Compound notes
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