(3-ethoxycarbonyl-5-oxidanyl-2-phenyl-1-benzofuran-4-yl)methyl-dimethyl-azanium chloride

Systemtic Name: (3-ethoxycarbonyl-5-oxidanyl-2-phenyl-1-benzofuran-4-yl)methyl-dimethyl-azanium chloride Openeye Name: (3-ethoxycarbonyl-5-hydroxy-2-phenyl-benzofuran-4-yl)methyl-dimethyl-ammonium chloride CAS Name: (3-ethoxycarbonyl-5-hydroxy-2-phenyl-4-benzofuranyl)methyl-dimethylammonium chloride IUPAC Name: (3-ethoxycarbonyl-5-hydroxy-2-phenyl-1-benzofuran-4-yl)methyl-dimethylazanium chloride Traditional Name: (3-carbethoxy-5-hydroxy-2-phenyl-benzofuran-4-yl)methyl-dimethyl-ammonium chloride Formula: C20H22ClNO4 MolecularWeight: 375.84598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2)O)C[NH+](C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H21NO4.ClH/c1-4-24-20(23)18-17-14(12-21(2)3)15(22)10-11-16(17)25-19(18)13-8-6-5-7-9-13;/h5-11,22H,4,12H2,1-3H3;1H