Basic information
- Standard SMILES
C[N+](C)(CCNC(=O)c1ccccc1)Cc1ccccc1.[Cl-]- InChIKey
LBWRNPYIRWBWEA-UHFFFAOYSA-N- Molecular formula
- C18H23ClN2O
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1498911
Names & identifiers
- Preferred name
- N,N-Dimethyl-N-(2-benzoylaminoethyl)benzylammonium Chloride
- IUPAC
- 2-benzamidoethyl-benzyl-dimethylazanium chloride
Names & synonyms
SCHEMBL9539057LBWRNPYIRWBWEA-UHFFFAOYSA-NN,N-Dimethyl-N-(2-benzoylaminoethyl)benzylammonium Chloride
Database identifiers
- PubChem CID
- 19811098
Properties
Computed structural properties
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 315
Related reactions
2 records
Compound notes
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