Piperidinium, 1-(2-((7-chloro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methyl-,iodide
Basic information
- CAS
15641-55-1- Standard SMILES
C[N+]1(CCSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2)CCCCC1.[I-]- InChIKey
KSUQJIITRRYURI-UHFFFAOYSA-M- Molecular formula
- C22H25ClIN3OS
- Average molar mass
- 541.9 g/mol
- Monoisotopic mass
- 541.04516
Names & identifiers
- Preferred name
- Piperidinium, 1-(2-((7-chloro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methyl-,iodide
- IUPAC
- 7-chloro-2-[2-(1-methylpiperidin-1-ium-1-yl)ethylsulfanyl]-3-phenylquinazolin-4-one iodide
Names & synonyms
15641-55-1Piperidinium, 1-(2-((7-chloro-3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)ethyl)-1-methyl-,iodideRefChem:373390DTXSID609354401-{2-[(7-Chloro-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]ethyl}-1-methylpiperidin-1-ium iodide
Database identifiers
- CAS
15641-55-1- PubChem CID
- 204129
- DTXSID
DTXSID60935440
Properties
Computed structural properties
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 586
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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