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

Systemtic Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-2-[(3-chlorophenyl)methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-2-(3-chlorobenzylidene)-6-hydroxy-3-keto-coumaran-7-yl]methyl-dipropyl-ammonium Formula: C22H25ClNO3+ MolecularWeight: 386.8918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClNO3/c1-3-10-24(11-4-2)14-18-19(25)9-8-17-21(26)20(27-22(17)18)13-15-6-5-7-16(23)12-15/h5-9,12-13,25H,3-4,10-11,14H2,1-2H3/p+1/b20-13-