1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride
Basic information
- CAS
96401-75-1- Standard SMILES
Cc1ccc2c(c1)C(=O)C(C[NH+]1CCC(c3ccccc3)CC1)CCO2.[Cl-]- InChIKey
CQMIDPXVNAOFHI-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO2
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1808568
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride
- IUPAC
- 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride
Names & synonyms
96401-75-11-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride7-Methyl-4-((4-phenylpiperidino)methyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochlorideRefChem:2278377-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-methyl-4-((4-phenylpiperidino)methyl)-, hydrochloride, 7-Methyl-4-((4-phenylpiperidino)methyl)-3,4-dihydro-1-benzoxepin-5(2H)-one hydrochloride, AC1L1M9D, LS-42542, 7-methyl-4-[(4-phenylpiperidin-1-ium-1-yl)methyl]-3,4-dihydro-2H-1-benzoxepin-5-one chloride, 96401-75-1
Database identifiers
- CAS
96401-75-1- PubChem CID
- 57073
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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