Basic information
- CAS
3754-34-5- Standard SMILES
C[N+]1(CCC(=O)N2c3ccccc3Sc3ccccc32)CCCC1.[Br-]- InChIKey
FCHBQKSRAATLMX-UHFFFAOYSA-M- Molecular formula
- C20H23BrN2OS
- Average molar mass
- 419.4 g/mol
- Monoisotopic mass
- 418.07145
Names & identifiers
- Preferred name
- Pyrrolidinium, 1-methyl-1-(2-(10-phenothiazinylcarbonyl)ethyl)-, bromide
- IUPAC
- 3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenothiazin-10-ylpropan-1-one bromide
Names & synonyms
1-Methyl-1-(2-(10-phenothiazinylcarbonyl)ethyl)pyrrolidinium bromide3754-34-5Pyrrolidinium, 1-methyl-1-(2-(10-phenothiazinylcarbonyl)ethyl)-, bromideRefChem:378156DTXSID109586241-Methyl-1-[3-oxo-3-(10H-phenothiazin-10-yl)propyl]pyrrolidin-1-ium bromide
Database identifiers
- CAS
3754-34-5- PubChem CID
- 199140
- DTXSID
DTXSID10958624
Properties
Computed structural properties
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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