Basic information
- Standard SMILES
COc1ccc(C[N+](C)(C)CCCNC(=O)c2ccccc2)cc1[N+](=O)[O-]- InChIKey
DZDAWQOIVWHQSS-UHFFFAOYSA-O- Molecular formula
- C20H26N3O4+
- Average molar mass
- 372.4 g/mol
Names & identifiers
- Preferred name
- 3-Benzamidopropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium
- IUPAC
- 3-benzamidopropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium
Database identifiers
- PubChem CID
- 53786872
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 1
- Complexity
- 486
Related reactions
1 records
Compound notes
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