(2Z)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[butyl(methyl)ammonio]methyl]-3-oxo-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[[butyl(methyl)ammonio]methyl]-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[butyl(methyl)azaniumyl]methyl]-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[butyl(methyl)ammonio]methyl]-3-keto-2-(3-pyridylmethylene)coumaran-6-olate Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3/c1-3-4-10-22(2)13-16-17(23)8-7-15-19(24)18(25-20(15)16)11-14-6-5-9-21-12-14/h5-9,11-12,23H,3-4,10,13H2,1-2H3/b18-11-