Basic information
- Standard SMILES
Cc1ccc(Nc2ccc(NCCC[N+](C)(C)C)c3c2C(=O)c2ccccc2C3=O)cc1- InChIKey
BFNZVYWRXDMFFM-UHFFFAOYSA-O- Molecular formula
- C27H30N3O2+
- Average molar mass
- 428.5 g/mol
- Monoisotopic mass
- 428.23380221
Names & identifiers
- Preferred name
- Trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
- IUPAC
- trimethyl-[3-[[4-(4-methylanilino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium
Database identifiers
- PubChem CID
- 166324
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 1
- Complexity
- 664
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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