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

Systemtic Name: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(2-methyl-2H-1-benzopyran-3-yl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-methyl-2H-chromen-3-yl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(2-methyl-2H-chromen-3-yl)methylene]-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C25H25NO4 MolecularWeight: 403.4703

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CC2=CC=CC=C2O1)C=C3C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCC5

Isomeric SMILES

CC1C(=CC2=CC=CC=C2O1)/C=C\3/C(=O)C4=C(O3)C(=C(C=C4)[O-])C[NH+]5CCCCC5

InChI

InChI=1S/C25H25NO4/c1-16-18(13-17-7-3-4-8-22(17)29-16)14-23-24(28)19-9-10-21(27)20(25(19)30-23)15-26-11-5-2-6-12-26/h3-4,7-10,13-14,16,27H,2,5-6,11-12,15H2,1H3/b23-14-