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

Systemtic Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxidanylidene-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-benzofuran-6-olate CAS Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[[(2R)-2-methyl-1-piperidin-1-iumyl]methyl]-3-oxo-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-3-oxo-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2-ethoxybenzylidene)-3-keto-7-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C24H27NO4 MolecularWeight: 393.47548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC[C@H]4C

InChI

InChI=1S/C24H27NO4/c1-3-28-21-10-5-4-9-17(21)14-22-23(27)18-11-12-20(26)19(24(18)29-22)15-25-13-7-6-8-16(25)2/h4-5,9-12,14,16,26H,3,6-8,13,15H2,1-2H3/b22-14-/t16-/m1/s1