diethyl-[[(2Z)-2-[(4-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: diethyl-[[(2Z)-2-[(4-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl]azanium Openeye Name: diethyl-[[(2Z)-6-hydroxy-3-oxo-2-(p-tolylmethylene)benzofuran-7-yl]methyl]ammonium CAS Name: diethyl-[[(2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl]ammonium IUPAC Name: diethyl-[[(2Z)-6-hydroxy-2-[(4-methylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl]azanium Traditional Name: diethyl-[[(2Z)-6-hydroxy-3-keto-2-(4-methylbenzylidene)coumaran-7-yl]methyl]ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C)C2=O)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C)/C2=O)O

InChI

InChI=1S/C21H23NO3/c1-4-22(5-2)13-17-18(23)11-10-16-20(24)19(25-21(16)17)12-15-8-6-14(3)7-9-15/h6-12,23H,4-5,13H2,1-3H3/p+1/b19-12-