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Basic information
- Standard SMILES
CC1(C)C(=O)Nc2ccc(C(=O)C[n+]3ccccc3)cc21- InChIKey
VATVAYSUDNTHKU-UHFFFAOYSA-O- Molecular formula
- C17H17N2O2+
- Average molar mass
- 281.33 g/mol
- Monoisotopic mass
- 281.12900279
Names & identifiers
- Preferred name
- 3,3-dimethyl-5-(2-pyridin-1-ium-1-ylacetyl)-1H-indol-2-one
- IUPAC
- 3,3-dimethyl-5-(2-pyridin-1-ium-1-ylacetyl)-1H-indol-2-one
Database identifiers
- PubChem CID
- 20072881
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 1
- Complexity
- 427
Related reactions
2 records
Compound notes
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