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

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-4-methyl-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-4-methyl-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-keto-4-methyl-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C24H23NO4 MolecularWeight: 389.44372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)C[NH+]5CCCCC5)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC4=CC=CC=C4O3)/O2)C[NH+]5CCCCC5)[O-]

InChI

InChI=1S/C24H23NO4/c1-15-11-19(26)18(14-25-9-5-2-6-10-25)24-22(15)23(27)21(29-24)13-17-12-16-7-3-4-8-20(16)28-17/h3-4,7-8,11-13,26H,2,5-6,9-10,14H2,1H3/b21-13-