Basic information
- CAS
61015-40-5- Standard SMILES
Cc1ccccc1N1CC[N+](C)(CCC(N)=O)CC1.[I-]- InChIKey
IFYDBFZKZUFABQ-UHFFFAOYSA-N- Molecular formula
- C15H24IN3O
- Average molar mass
- 389.27 g/mol
- Monoisotopic mass
- 389.09641
Names & identifiers
- Preferred name
- Piperazinium, 1-(3-amino-3-oxopropyl)-1-methyl-4-(2-methylphenyl)-, iodide
- IUPAC
- 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
Names & synonyms
1-(3-Amino-3-oxopropyl)-1-methyl-4-(2-methylphenyl)piperazinium iodidePiperazinium, 1-(3-amino-3-oxopropyl)-1-methyl-4-(2-methylphenyl)-, iodide61015-40-5RefChem:372751
Database identifiers
- CAS
61015-40-5- PubChem CID
- 3045656
Properties
Computed structural properties
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…