Basic information
- Standard SMILES
CNC(=O)C[n+]1ccccc1-c1cc(C)c2c(c1O)C(=NO)CC2.[Cl-]- InChIKey
GBHMPJJZDUUGDO-UHFFFAOYSA-N- Molecular formula
- C18H20ClN3O3
- Average molar mass
- 361.8 g/mol
Names & identifiers
- Preferred name
- (2,3-dihydro-7-hydroxy-1-hydroxyimino-4-methyl-1H-indene-6-yl)-methylaminocarbonylmethylpyridinium chloride
- IUPAC
- 2-[2-(4-hydroxy-3-hydroxyimino-7-methyl-1,2-dihydroinden-5-yl)pyridin-1-ium-1-yl]-N-methylacetamide chloride
Names & synonyms
SCHEMBL9579436GBHMPJJZDUUGDO-UHFFFAOYSA-N(2,3-dihydro-7-hydroxy-1-hydroxyimino-4-methyl-1H-indene-6-yl)-methylaminocarbonylmethylpyridinium chloride(2,3-dihydro-7-hydroxy-1-hydroxyimino-4-methyl-1H-indene-6yl)-methylaminocarbonylmethylpyridinium chloride
Database identifiers
- PubChem CID
- 136342833
Properties
Computed structural properties
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 496
Related reactions
2 records
Compound notes
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