(2Z)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-(3-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-4-methyl-7-(4-morpholin-4-iumylmethyl)-3-oxo-2-(3-pyridinylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-3-oxo-2-(pyridin-3-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-7-(morpholin-4-ium-4-ylmethyl)-2-(3-pyridylmethylene)coumaran-6-olate Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C[NH+]4CCOCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CN=CC=C3)/O2)C[NH+]4CCOCC4)[O-]

InChI

InChI=1S/C20H20N2O4/c1-13-9-16(23)15(12-22-5-7-25-8-6-22)20-18(13)19(24)17(26-20)10-14-3-2-4-21-11-14/h2-4,9-11,23H,5-8,12H2,1H3/b17-10-