N-[[1-[[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Basic information
- CAS
7683-36-5- Standard SMILES
ON=Cc1cc[n+](COC[n+]2ccc(C=NO)cc2)cc1- InChIKey
HIGRLDNHDGYWQJ-UHFFFAOYSA-P- Molecular formula
- C14H16N4O3+2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.12224039
Overview
See also: Obidoxime (preferred); Obidoxime Chloride (active moiety of).
Names & identifiers
- Preferred name
- N-[[1-[[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
- IUPAC
- N-[[1-[[4-(hydroxyiminomethyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-yl]methylidene]hydroxylamine
Names & synonyms
SCHEMBL616207
Database identifiers
- CAS
7683-36-5- PubChem CID
- 8251
- Nikkaji
- J15.681G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 2
- Complexity
- 303
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Compound notes
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