(2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylene]-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-7-[(2-methyl-1-piperidin-1-iumyl)methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-7-[(2-methylpiperidin-1-ium-1-yl)methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(2-methyl-2H-chromen-3-yl)methylene]-7-[(2-methylpiperidin-1-ium-1-yl)methyl]coumaran-6-olate Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5OC4C)C3=O)[O-]

Isomeric SMILES

CC1CCCC[NH+]1CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5OC4C)/C3=O)[O-]

InChI

InChI=1S/C26H27NO4/c1-16-7-5-6-12-27(16)15-21-22(28)11-10-20-25(29)24(31-26(20)21)14-19-13-18-8-3-4-9-23(18)30-17(19)2/h3-4,8-11,13-14,16-17,28H,5-7,12,15H2,1-2H3/b24-14-