Basic information
- CAS
61015-31-4- Standard SMILES
C[N+]1(CCC#N)CCN(c2ccccc2)CC1.[I-]- InChIKey
LNVFBISYUZGYQR-UHFFFAOYSA-M- Molecular formula
- C14H20IN3
- Average molar mass
- 357.23 g/mol
- Monoisotopic mass
- 357.0702
Names & identifiers
- Preferred name
- 1-(2-Cyanoethyl)-1-methyl-4-phenylpiperazin-1-ium iodide
- IUPAC
- 3-(1-methyl-4-phenylpiperazin-1-ium-1-yl)propanenitrile iodide
Names & synonyms
61015-31-4DTXSID809764961-(2-Cyanoethyl)-1-methyl-4-phenylpiperazin-1-ium iodideRefChem:1053955DTXCID3014038701-(2-Cyanoethyl)-1-methyl-4-phenylpiperazinium iodidePiperazinium, 1-(2-cyanoethyl)-1-methyl-4-phenyl-, iodide
Database identifiers
- CAS
61015-31-4- PubChem CID
- 3045642
- DTXSID
DTXSID80976496
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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