Basic information
- CAS
99949-62-9- Standard SMILES
C[N+](C)(CCc1c[nH]c2ccc(O)cc12)Cc1cccc(Cl)c1.[Br-]- InChIKey
FDAIEWSNTIWDGB-UHFFFAOYSA-N- Molecular formula
- C19H22BrClN2O
- Average molar mass
- 409.7 g/mol
- Monoisotopic mass
- 408.0604
Names & identifiers
- Preferred name
- Ammonium, (m-chlorobenzyl)(2-(5-hydroxyindol-3-yl)ethyl)dimethyl-, bromide
- IUPAC
- (3-chlorophenyl)methyl-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-dimethylazanium bromide
Names & synonyms
(m-Chlorobenzyl)(2-(5-hydroxyindol-3-yl)ethyl)dimethylammonium bromide99949-62-9AMMONIUM, (m-CHLOROBENZYL)(2-(5-HYDROXYINDOL-3-YL)ETHYL)DIMETHYL-, BROMIDERefChem:318992
Database identifiers
- CAS
99949-62-9- PubChem CID
- 57586
Properties
Computed structural properties
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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