(2Z)-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-3-oxo-7-(1-piperidin-1-iumylmethyl)-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-(piperidin-1-ium-1-ylmethyl)-2-(3-pyridylmethylene)coumaran-6-olate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CN=CC=C4)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CN=CC=C4)/C3=O)[O-]

InChI

InChI=1S/C20H20N2O3/c23-17-7-6-15-19(24)18(11-14-5-4-8-21-12-14)25-20(15)16(17)13-22-9-2-1-3-10-22/h4-8,11-12,23H,1-3,9-10,13H2/b18-11-