Basic information
- CAS
5173-30-8- Standard SMILES
CC1CC[N+](C)(CC(=O)c2ccc(-c3ccc(C(=O)C[N+]4(C)CCC(C)CC4)cc3)cc2)CC1- InChIKey
IKLBTWODMVWLJX-UHFFFAOYSA-N- Molecular formula
- C30H42N2O2+2
- Average molar mass
- 462.7 g/mol
- Monoisotopic mass
- 462.32462859
Names & identifiers
- Preferred name
- 2-(1,4-Dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone
- IUPAC
- 2-(1,4-dimethylpiperidin-1-ium-1-yl)-1-[4-[4-[2-(1,4-dimethylpiperidin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone
Names & synonyms
5173-30-8DTXSID709660231,1'-[[1,1'-Biphenyl]-4,4'-diylbis(2-oxoethane-2,1-diyl)]bis(1,4-dimethylpiperidin-1-ium)
Database identifiers
- CAS
5173-30-8- PubChem CID
- 90512
- DTXSID
DTXSID70966023
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 2
- Complexity
- 627
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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