butyl-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-methyl-azanium chloride

Systemtic Name: butyl-[[(2Z)-2-[(4-methoxycarbonylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]-methyl-azanium chloride Openeye Name: butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl]-methyl-ammonium chloride CAS Name: butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]-methylammonium chloride IUPAC Name: butyl-[[(2Z)-6-hydroxy-2-[(4-methoxycarbonylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]-methylazanium chloride Traditional Name: butyl-[[(2Z)-2-(4-carbomethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl]-methyl-ammonium chloride Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C(=O)OC)C2=O)O.[Cl-]

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C(=O)OC)/C2=O)O.[Cl-]

InChI

InChI=1S/C23H25NO5.ClH/c1-4-5-12-24(2)14-18-19(25)11-10-17-21(26)20(29-22(17)18)13-15-6-8-16(9-7-15)23(27)28-3;/h6-11,13,25H,4-5,12,14H2,1-3H3;1H/b20-13-;