Basic information
- CAS
66967-61-1- Standard SMILES
CC(=O)c1c(C)c(C(C)C[N+](C)(C)Cc2ccc(C)cc2)c2ccccn12.[Cl-]- InChIKey
HOUOPSWKKWRKJW-UHFFFAOYSA-M- Molecular formula
- C24H31ClN2O
- Average molar mass
- 399 g/mol
- Monoisotopic mass
- 398.2124913
Names & identifiers
- Preferred name
- Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)-, chloride
- IUPAC
- 2-(3-acetyl-2-methylindolizin-1-yl)propyl-dimethyl-[(4-methylphenyl)methyl]azanium chloride
Names & synonyms
Ammonium, (2-(3-acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)-, chloride(2-(3-Acetyl-2-methyl-1-indolizinyl)-2-methylethyl)dimethyl(1,4-xylyl)ammonium chlorideRefChem:31874166967-61-1DTXSID309856992-(3-Acetyl-2-methylindolizin-1-yl)-N,N-dimethyl-N-[(4-methylphenyl)methyl]propan-1-aminium chloride
Database identifiers
- CAS
66967-61-1- PubChem CID
- 48624
- DTXSID
DTXSID30985699
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…