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

Systemtic Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(3-methoxyphenyl)methylene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(3-methoxyphenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-m-anisylidene-7-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

Isomeric SMILES

COC1=CC=CC(=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4

InChI

InChI=1S/C22H23NO4/c1-26-16-7-5-6-15(12-16)13-20-21(25)17-8-9-19(24)18(22(17)27-20)14-23-10-3-2-4-11-23/h5-9,12-13,24H,2-4,10-11,14H2,1H3/b20-13-