dimethyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dimethyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(4-pyridylmethylene)benzofuran-7-yl]methyl-dimethyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-7-benzofuranyl]methyl-dimethylammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl-dimethylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(4-pyridylmethylene)coumaran-7-yl]methyl-dimethyl-ammonium Formula: C17H17N2O3+ MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3/c1-19(2)10-13-14(20)4-3-12-16(21)15(22-17(12)13)9-11-5-7-18-8-6-11/h3-9,20H,10H2,1-2H3/p+1/b15-9-