Basic information
- Standard SMILES
CC1(C)C(=O)Nc2ccc(C(=O)C[n+]3ccccc3)cc21.[Cl-]- InChIKey
DQAUPMIETLNTGV-UHFFFAOYSA-N- Molecular formula
- C17H17ClN2O2
- Average molar mass
- 316.8 g/mol
- Monoisotopic mass
- 316.0978555
Names & identifiers
- Preferred name
- 1-[2-(2,3-Dihydro-3,3-dimethyl-2-oxoindol-5-yl)-2-oxoethyl]pyridinium chloride
- IUPAC
- 3,3-dimethyl-5-(2-pyridin-1-ium-1-ylacetyl)-1H-indol-2-one chloride
Names & synonyms
SCHEMBL7269178DQAUPMIETLNTGV-UHFFFAOYSA-N1-[2-(2,3-dihydro-3,3-dimethyl-2-oxoindol-5-yl)-2-oxoethyl]pyridinium chloride
Database identifiers
- PubChem CID
- 20072880
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Related reactions
2 records
Compound notes
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