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Basic information
- Standard SMILES
CC(=O)N1CC(CC[n+]2ccc(-c3ccc4[nH]ccc4c3)cc2)c2ccccc21- InChIKey
BCVKPZNRJVHRQG-UHFFFAOYSA-O- Molecular formula
- C25H24N3O+
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.1919374
Names & identifiers
- Preferred name
- 1-[3-[2-[4-(1H-indol-5-yl)pyridin-1-ium-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
- IUPAC
- 1-[3-[2-[4-(1H-indol-5-yl)pyridin-1-ium-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
Database identifiers
- PubChem CID
- 68852829
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 1
- Complexity
- 572
Related reactions
1 records
Compound notes
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