N-Benzyl-6,7-dimethoxy-N,N-dimethyl-3,4-dihydro-1H-2-benzopyran-1-aminium chloride

HCID 50964

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Basic information

CAS: 70070-03-0
Standard SMILES: COc1cc2c(cc1OC)C([N+](C)(C)Cc1ccccc1)OCC2.[Cl-]
InChIKey: KFTNCZRZDYTHJG-UHFFFAOYSA-M
Molecular formula: C20H26ClNO3
Average molar mass: 363.9 g/mol
Monoisotopic mass: 363.1601214

Names & identifiers

Preferred name: N-Benzyl-6,7-dimethoxy-N,N-dimethyl-3,4-dihydro-1H-2-benzopyran-1-aminium chloride
IUPAC: benzyl-(6,7-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)-dimethylazanium chloride

Names & synonyms

70070-03-0DTXSID60990312N-BENZYL-6,7-DIMETHOXY-N,N-DIMETHYL-3,4-DIHYDRO-1H-2-BENZOPYRAN-1-AMINIUM CHLORIDERefChem:1091597DTXCID1014174151H-2-Benzopyran-1-methanamine, 3,4-dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-, hydrochloride1-(N-Benzyl-N-methyl)aminomethyl-6,7-dimethoxyisochroman hydrochloride3,4-Dihydro-6,7-dimethoxy-N-methyl-N-(phenylmethyl)-1H-2-benzopyran-1-methanamine HCl

Database identifiers

CAS: 70070-03-0
PubChem CID: 50964
DTXSID: DTXSID60990312

Properties

Computed structural properties

Topological polar surface area: 27.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 25
Formal charge: 0
Complexity: 394

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