Basic information
- CAS
62515-72-4- Standard SMILES
CCOC(=O)C[n+]1cccc(C(=O)c2cc3ccccc3[nH]2)c1.[Br-]- InChIKey
KWCZCKZXNYYWPE-UHFFFAOYSA-N- Molecular formula
- C18H17BrN2O3
- Average molar mass
- 389.2 g/mol
- Monoisotopic mass
- 388.04225
Names & identifiers
- Preferred name
- 1-(2-Ethoxy-2-oxoethyl)-3-(1H-indole-2-carbonyl)pyridin-1-ium bromide
- IUPAC
- ethyl 2-[3-(1H-indole-2-carbonyl)pyridin-1-ium-1-yl]acetate bromide
Names & synonyms
62515-72-4DTXSID504950281-(2-ETHOXY-2-OXOETHYL)-3-(1H-INDOLE-2-CARBONYL)PYRIDIN-1-IUM BROMIDE
Database identifiers
- CAS
62515-72-4- PubChem CID
- 12374780
- DTXSID
DTXSID50495028
Properties
Computed structural properties
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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