[(2Z)-2-[(5-methylfuran-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-6-hydroxy-2-[(5-methyl-2-furyl)methylene]-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-6-hydroxy-2-[(5-methyl-2-furanyl)methylidene]-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-6-hydroxy-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-[(5-methyl-2-furyl)methylene]coumaran-7-yl]methyl-dipropyl-ammonium Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=C(O3)C)C2=O)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(O3)C)/C2=O)O

InChI

InChI=1S/C21H25NO4/c1-4-10-22(11-5-2)13-17-18(23)9-8-16-20(24)19(26-21(16)17)12-15-7-6-14(3)25-15/h6-9,12,23H,4-5,10-11,13H2,1-3H3/p+1/b19-12-