4-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidinium hydrogen maleate
Basic information
- CAS
24359-22-6- Standard SMILES
C[NH+]1CCC(=C2c3ccccc3CCc3sccc32)CC1.O=C([O-])/C=C\C(=O)O- InChIKey
GGYSHFFKUHGBIK-BTJKTKAUSA-N- Molecular formula
- C23H25NO4S
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.15042945
Overview
See also: Pizotifen Maleate (preferred).
Names & identifiers
- Preferred name
- 4-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidinium hydrogen maleate
- IUPAC
- (Z)-4-hydroxy-4-oxobut-2-enoate;1-methyl-4-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-ylidene)piperidin-1-ium
Names & synonyms
UNII-2S5E7G70SZEINECS 246-204-54-(9,10-Dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)-1-methylpiperidinium hydrogen maleate
Database identifiers
- CAS
24359-22-6- PubChem CID
- 6439699
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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