Basic information
- CAS
66422-02-4- Standard SMILES
Cc1ccc(S(=O)(=O)O)cc1.FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(CC[n+]3ccccc3)CC1)c1ccccc1S2- InChIKey
ASEFHLODXOPJGL-UHFFFAOYSA-N- Molecular formula
- C34H38F3N4O3S2+
- Average molar mass
- 671.8 g/mol
- Monoisotopic mass
- 671.23374292
Names & identifiers
- Preferred name
- 4-Methylbenzenesulfonic acid;10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
- IUPAC
- 4-methylbenzenesulfonic acid;10-[3-[4-(2-pyridin-1-ium-1-ylethyl)piperazin-1-yl]propyl]-2-(trifluoromethyl)phenothiazine
Names & synonyms
NSC17334166422-02-4DTXSID90329959NSC-173341
Database identifiers
- CAS
66422-02-4- PubChem CID
- 425375
- DTXSID
DTXSID90329959
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 1
- Complexity
- 857
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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