Basic information
- CAS
56071-24-0- Standard SMILES
Cc1cc2c(cc1C)[C@H](O)[C@@H]([NH+]1CCCCC1)CCO2.[Cl-]- InChIKey
VMCNJWIZXJSWKB-NBLXOJGSSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 1-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (E)-
- IUPAC
- (4S,5S)-7,8-dimethyl-4-piperidin-1-ium-1-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol chloride
Names & synonyms
56071-24-01-Benzoxepin-5-ol, 2,3,4,5-tetrahydro-7,8-dimethyl-4-piperidino-, hydrochloride, (E)-RefChem:1054937trans-7,8-Dimethyl-4-piperidino-2,3,4,5-tetrahydro-1-benzoxepin-5-ol hydrochloridetrans-4-(1-Piperidino)-7,8-dimethyl-2,3,4,5-tetrahydro-1(2H)-benzoxepin-5-ol hydrochloride
Database identifiers
- CAS
56071-24-0- PubChem CID
- 41726
Properties
Computed structural properties
- Topological polar surface area
- 33.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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