(2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-ethoxyphenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(4-ethoxybenzylidene)-3-keto-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C23H25NO4/c1-2-27-17-8-6-16(7-9-17)14-21-22(26)18-10-11-20(25)19(23(18)28-21)15-24-12-4-3-5-13-24/h6-11,14,25H,2-5,12-13,15H2,1H3/b21-14-