Basic information
- CAS
62515-73-5- Standard SMILES
O=C(C[n+]1cccc(C(=O)c2cc3ccccc3[nH]2)c1)c1ccccc1.[Br-]- InChIKey
VUZODCFTFNFFKX-UHFFFAOYSA-N- Molecular formula
- C22H17BrN2O2
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 420.04734
Names & identifiers
- Preferred name
- 3-(1H-Indole-2-carbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
- IUPAC
- 2-[3-(1H-indole-2-carbonyl)pyridin-1-ium-1-yl]-1-phenylethanone bromide
Names & synonyms
62515-73-5DTXSID104950293-(1H-Indole-2-carbonyl)-1-(2-oxo-2-phenylethyl)pyridin-1-ium bromide
Database identifiers
- CAS
62515-73-5- PubChem CID
- 12374782
- DTXSID
DTXSID10495029
Properties
Computed structural properties
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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