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

Systemtic Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(2-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=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-2-27-20-9-5-4-8-16(20)14-21-22(26)17-10-11-19(25)18(23(17)28-21)15-24-12-6-3-7-13-24/h4-5,8-11,14,25H,2-3,6-7,12-13,15H2,1H3/b21-14-