[3-(2,5-dimethoxyphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride hydrate

Systemtic Name: [3-(2,5-dimethoxyphenyl)carbonyl-5-oxidanyl-1-benzofuran-4-yl]methyl-dimethyl-azanium chloride hydrate Openeye Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride hydrate CAS Name: [3-[(2,5-dimethoxyphenyl)-oxomethyl]-5-hydroxy-4-benzofuranyl]methyl-dimethylammonium chloride hydrate IUPAC Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-1-benzofuran-4-yl]methyl-dimethylazanium chloride hydrate Traditional Name: [3-(2,5-dimethoxybenzoyl)-5-hydroxy-benzofuran-4-yl]methyl-dimethyl-ammonium chloride hydrate Formula: C20H24ClNO6 MolecularWeight: 409.86066

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=C(C=CC(=C3)OC)OC)O.O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1C(=CO2)C(=O)C3=C(C=CC(=C3)OC)OC)O.O.[Cl-]

InChI

InChI=1S/C20H21NO5.ClH.H2O/c1-21(2)10-14-16(22)6-8-18-19(14)15(11-26-18)20(23)13-9-12(24-3)5-7-17(13)25-4;;/h5-9,11,22H,10H2,1-4H3;1H;1H2