Piperazinium, 1-(3-amino-3-oxopropyl)-4-(3-chlorophenyl)-1-methyl-, iodide
Basic information
- CAS
61015-43-8- Standard SMILES
C[N+]1(CCC(N)=O)CCN(c2cccc(Cl)c2)CC1.[I-]- InChIKey
KTCQYEHYPGICQJ-UHFFFAOYSA-N- Molecular formula
- C14H21ClIN3O
- Average molar mass
- 409.69 g/mol
- Monoisotopic mass
- 409.04179
Names & identifiers
- Preferred name
- Piperazinium, 1-(3-amino-3-oxopropyl)-4-(3-chlorophenyl)-1-methyl-, iodide
- IUPAC
- 3-[4-(3-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanamide iodide
Names & synonyms
1-(3-Amino-3-oxopropyl)-4-(3-chlorophenyl)-1-methylpiperazinium iodidePiperazinium, 1-(3-amino-3-oxopropyl)-4-(3-chlorophenyl)-1-methyl-, iodide61015-43-8RefChem:372754
Database identifiers
- CAS
61015-43-8- PubChem CID
- 3045662
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
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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