(+-)-trans-3-Benzylimino-1-phenylhexahydro-3H-oxazolo(3,4-a)pyridine hydrochloride

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Basic information

CAS: 75343-61-2
Standard SMILES: Cl.c1ccc(CN=C2O[C@H](c3ccccc3)[C@H]3CCCCN23)cc1
InChIKey: DGEQVMBGYCROSH-STYNFMPRSA-N
Molecular formula: C20H23ClN2O
Average molar mass: 342.9 g/mol
Monoisotopic mass: 342.1498911

Names & identifiers

Preferred name: (+-)-trans-3-Benzylimino-1-phenylhexahydro-3H-oxazolo(3,4-a)pyridine hydrochloride
IUPAC: (1R,8aR)-N-benzyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine;hydrochloride

Names & synonyms

(+-)-trans-3-Benzylimino-1-phenylhexahydro-3H-oxazolo(3,4-a)pyridine hydrochloride3H-Oxazolo(3,4-a)pyridine, hexahydro-3-benzylimino-1-phenyl-, hydrochloride (E)-(+-)-75343-61-2

Database identifiers

CAS: 75343-61-2
PubChem CID: 3058482

Properties

Computed structural properties

Topological polar surface area: 24.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 410

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Compound notes

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