Basic information
- CAS
23111-76-4- Standard SMILES
CC(Cc1ccccc1)[N+]1(C)CC[N+](C)(C(C)Cc2ccccc2)CC1.COS(=O)(=O)[O-].COS(=O)(=O)[O-]- InChIKey
KAQAYAVWNWMJSG-UHFFFAOYSA-L- Molecular formula
- C26H42N2O8S2
- Average molar mass
- 574.8 g/mol
- Monoisotopic mass
- 574.23825865
Names & identifiers
- Preferred name
- Piperazinium, 1,4-bis(alpha-methylphenethyl)-1,4-dimethyl-, bis(methylsulfate)
- IUPAC
- 1,4-dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium;methyl sulfate
Names & synonyms
23111-76-4Piperazinium, 1,4-bis(alpha-methylphenethyl)-1,4-dimethyl-, bis(methylsulfate)RefChem:10960701,4-Bis(alpha-methylphenethyl)-1,4-dimethylpiperazinium bis(methylsulfate)DTXSID109457911,4-Dimethyl-1,4-bis(1-phenylpropan-2-yl)piperazine-1,4-diium bis(methyl sulfate)
Database identifiers
- CAS
23111-76-4- PubChem CID
- 211432
- DTXSID
DTXSID10945791
Properties
Computed structural properties
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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