Basic information
- Standard SMILES
COc1ccc(C[N+](C)(C)CCCNC(=O)c2ccccc2)cc1[N+](=O)[O-].[Cl-]- InChIKey
PGAKMBDQTUMTNZ-UHFFFAOYSA-N- Molecular formula
- C20H26ClN3O4
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.161184
Names & identifiers
- Preferred name
- N,N-dimethyl-N-(3-nitro-4-methoxybenzyl)-N-3-benzamidopropylammonium chloride
- IUPAC
- 3-benzamidopropyl-[(4-methoxy-3-nitrophenyl)methyl]-dimethylazanium chloride
Names & synonyms
SCHEMBL11441686PGAKMBDQTUMTNZ-UHFFFAOYSA-NN,N-dimethyl-N-(3-nitro-4-methoxybenzyl)-N-3-benzamidopropylammonium chloride
Database identifiers
- PubChem CID
- 86733005
Properties
Computed structural properties
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 486
Related reactions
6 records
Compound notes
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