Basic information
- CAS
88461-88-5- Standard SMILES
CCOC(=O)c1c(C[NH+]2CCOCC2)n(-c2ccccc2)c2cc(Br)c(O)cc12.[Cl-]- InChIKey
SOSYXINOWQRFOZ-UHFFFAOYSA-N- Molecular formula
- C22H24BrClN2O4
- Average molar mass
- 495.8 g/mol
- Monoisotopic mass
- 494.0608
Overview
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Names & identifiers
- Preferred name
- Ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride
- IUPAC
- ethyl 6-bromo-5-hydroxy-2-(morpholin-4-ium-4-ylmethyl)-1-phenylindole-3-carboxylate chloride
Database identifiers
- CAS
88461-88-5- PubChem CID
- 55826
Properties
Computed structural properties
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 553
Related reactions
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Compound notes
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