Basic information
- CAS
61015-36-9- Standard SMILES
C[N+]1(CCC#N)CCN(c2ccccc2Cl)CC1.[I-]- InChIKey
XUVDSYMDFOCAPP-UHFFFAOYSA-M- Molecular formula
- C14H19ClIN3
- Average molar mass
- 391.68 g/mol
- Monoisotopic mass
- 391.03122
Names & identifiers
- Preferred name
- 4-(2-Chlorophenyl)-1-(2-cyanoethyl)-1-methylpiperazin-1-ium iodide
- IUPAC
- 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanenitrile iodide
Names & synonyms
61015-36-9DTXSID109765004-(2-Chlorophenyl)-1-(2-cyanoethyl)-1-methylpiperazin-1-ium iodideRefChem:1069818DTXCID1014038744-(2-Chlorophenyl)-1-(2-cyanoethyl)-1-methylpiperazinium iodidePiperazinium, 4-(2-chlorophenyl)-1-(2-cyanoethyl)-1-methyl-, iodide
Database identifiers
- CAS
61015-36-9- PubChem CID
- 3045650
- DTXSID
DTXSID10976500
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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