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

Systemtic Name: [(2Z)-2-[(4-ethoxyphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-2-[(4-ethoxyphenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-2-[(4-ethoxyphenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-2-[(4-ethoxyphenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-2-(4-ethoxybenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C24H30NO4+ MolecularWeight: 396.4993

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4/c1-4-13-25(14-5-2)16-20-21(26)12-11-19-23(27)22(29-24(19)20)15-17-7-9-18(10-8-17)28-6-3/h7-12,15,26H,4-6,13-14,16H2,1-3H3/p+1/b22-15-