Basic information
- Standard SMILES
C[N+](C)(CCCNC=O)Cc1cccc2c([N+](=O)[O-])cccc12- InChIKey
AWWJCLMTJSMUDV-UHFFFAOYSA-O- Molecular formula
- C17H22N3O3+
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.16611657
Names & identifiers
- Preferred name
- 3-Formamidopropyl-dimethyl-[(5-nitronaphthalen-1-yl)methyl]azanium
- IUPAC
- 3-formamidopropyl-dimethyl-[(5-nitronaphthalen-1-yl)methyl]azanium
Database identifiers
- PubChem CID
- 53666450
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 1
- Complexity
- 408
Related reactions
1 records
Compound notes
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