Basic information
- CAS
61015-32-5- Standard SMILES
Cc1ccccc1N1CC[N+](C)(CCC#N)CC1.[I-]- InChIKey
GYYVQDPPCYJWJI-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-(2-methylphenyl)piperazin-1-ium iodide
- IUPAC
- 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
Names & synonyms
61015-32-5DTXSID409764971-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazin-1-ium iodideRefChem:1053952DTXCID0014038711-(2-Cyanoethyl)-1-methyl-4-(2-methylphenyl)piperazinium iodidePiperazinium, 1-(2-cyanoethyl)-1-methyl-4-(2-methylphenyl)-, iodideAKOS005065647
Database identifiers
- CAS
61015-32-5- PubChem CID
- 3045644
- DTXSID
DTXSID40976497
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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