Basic information
- Standard SMILES
COc1ccc([N+](=O)[O-])cc1NC(=O)C[N+](C)(C)CCCNC=O- InChIKey
NITUYLHYBLHOLB-UHFFFAOYSA-O- Molecular formula
- C15H23N4O5+
- Average molar mass
- 339.37 g/mol
Names & identifiers
- Preferred name
- 3-Formamidopropyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-dimethylazanium
- IUPAC
- 3-formamidopropyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-dimethylazanium
Database identifiers
- PubChem CID
- 86733014
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 1
- Complexity
- 438
Related reactions
1 records
Compound notes
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