Chromone, 2,3-dimethyl-7-methoxy-8-(4-methyl-1-piperazinyl)methyl-, hydrochloride

HCID 50878

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Basic information

CAS: 69782-35-0
Standard SMILES: COc1ccc2c(=O)c(C)c(C)oc2c1CN1CC[NH+](C)CC1.[Cl-]
InChIKey: IIRUSNNBEVJFJK-UHFFFAOYSA-N
Molecular formula: C18H25ClN2O3
Average molar mass: 352.9 g/mol
Monoisotopic mass: 352.1553704

Names & identifiers

Preferred name: Chromone, 2,3-dimethyl-7-methoxy-8-(4-methyl-1-piperazinyl)methyl-, hydrochloride
IUPAC: 7-methoxy-2,3-dimethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one chloride

Names & synonyms

Chromone, 2,3-dimethyl-7-methoxy-8-(4-methyl-1-piperazinyl)methyl-, hydrochloride2,3-Dimethyl-7-methoxy-8-(4-methyl-1-piperazinyl)methylchromone hydrochloride4H-1-Benzopyran-4-one, 7-methoxy-2,3-dimethyl-8-((4-methyl-1-piperazinyl)methyl)-, HCl69782-35-0RefChem:334051

Database identifiers

CAS: 69782-35-0
PubChem CID: 50878

Properties

Computed structural properties

Topological polar surface area: 43.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 483

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