1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidin-1-ium bromide
Basic information
- CAS
21100-34-5- Standard SMILES
C[N+]1(CCC(O)(c2ccccc2)C2CCCCC2)CCCCC1.[Br-]- InChIKey
HBVVNVMAXNAIMK-UHFFFAOYSA-M- Molecular formula
- C21H34BrNO
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 395.18238
Names & identifiers
- Preferred name
- 1-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidin-1-ium bromide
- IUPAC
- 1-cyclohexyl-3-(1-methylpiperidin-1-ium-1-yl)-1-phenylpropan-1-ol bromide
Names & synonyms
21100-34-5DTXSID009434281-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidin-1-ium bromideRefChem:1054164DTXCID0013717971-(3-Cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methylpiperidinium bromidePiperidinium, 1-(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-1-methyl-, bromide
Database identifiers
- CAS
21100-34-5- PubChem CID
- 210171
- DTXSID
DTXSID00943428
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
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Compound notes
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