Flavone, 4'-methoxy-3-methyl-3'-(piperidinomethyl)-, hydrochloride

HCID 49703

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Basic information

CAS: 67238-87-3
Standard SMILES: COc1ccc(-c2oc3ccccc3c(=O)c2C)cc1C[NH+]1CCCCC1.[Cl-]
InChIKey: WDHDAHQXSMVLOW-UHFFFAOYSA-N
Molecular formula: C23H26ClNO3
Average molar mass: 399.9 g/mol
Monoisotopic mass: 399.1601214

Names & identifiers

Preferred name: Flavone, 4'-methoxy-3-methyl-3'-(piperidinomethyl)-, hydrochloride
IUPAC: 2-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]-3-methylchromen-4-one chloride

Names & synonyms

4'-Methoxy-3-methyl-3'-(piperidinomethyl)flavone hydrochloride67238-87-3FLAVONE, 4'-METHOXY-3-METHYL-3'-(PIPERIDINOMETHYL)-, HYDROCHLORIDERefChem:345455

Database identifiers

CAS: 67238-87-3
PubChem CID: 49703

Properties

Computed structural properties

Topological polar surface area: 40 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 566

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