Win-1593
Basic information
- CAS
6856-43-5- Standard SMILES
C[N+]1(CCC(O)(c2ccccc2)C2CCCCC2)CCCCC1.[I-]- InChIKey
YKZFNZSNUCCJKU-UHFFFAOYSA-M- Molecular formula
- C21H34INO
- Average molar mass
- 443.4 g/mol
- Monoisotopic mass
- 443.16851
Names & identifiers
- Preferred name
- Win-1593
- IUPAC
- 1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol iodide
Names & synonyms
6856-43-5WIN-1593RefChem:1101056(+-)-Benzhexol methyl iodideNIOSH/TN4724460TN47244600(+-)-1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidinium iodidePiperidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylphenyl)-1-methyl-, iodide, (+-)-1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidinium iodideWIN 1593Propanol, 1-cyclohexyl-1-phenyl-3-piperidino-, methyliodideBenzyl alcohol, alpha-cyclohexyl-alpha-(2-(piperidino)ethyl)-, methyliodide
Show more names
KSHN00402-RacPiperidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, iodideKSHN00402RIKSHN00402SI
Database identifiers
- CAS
6856-43-5- PubChem CID
- 201806
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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