Basic information
- CAS
61015-33-6- Standard SMILES
Cc1cccc(N2CC[N+](C)(CCC#N)CC2)c1.[I-]- InChIKey
BEEDCVNQLAYTPO-UHFFFAOYSA-M- Molecular formula
- C15H22IN3
- Average molar mass
- 371.26 g/mol
- Monoisotopic mass
- 371.08585
Names & identifiers
- Preferred name
- 1-(2-Cyanoethyl)-1-methyl-4-(3-methylphenyl)piperazin-1-ium iodide
- IUPAC
- 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
Names & synonyms
61015-33-6DTXSID009764981-(2-Cyanoethyl)-1-methyl-4-(3-methylphenyl)piperazin-1-ium iodideRefChem:1053953DTXCID7014038721-(2-Cyanoethyl)-1-methyl-4-(3-methylphenyl)piperazinium iodidePiperazinium, 1-(2-cyanoethyl)-1-methyl-4-(3-methylphenyl)-, iodide
Database identifiers
- CAS
61015-33-6- PubChem CID
- 3045646
- DTXSID
DTXSID00976498
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
- 309
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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