(2Z)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxidanylidene-5-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxidanylidene-5-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxyphenyl)methylene]-7-methyl-3-oxo-5-(piperidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-(1-piperidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-7-methyl-3-oxo-5-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-7-methyl-2-p-anisylidene-5-(piperidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1[O-])C[NH+]3CCCCC3)C(=O)C(=CC4=CC=C(C=C4)OC)O2

Isomeric SMILES

CC1=C2C(=CC(=C1[O-])C[NH+]3CCCCC3)C(=O)/C(=C/C4=CC=C(C=C4)OC)/O2

InChI

InChI=1S/C23H25NO4/c1-15-21(25)17(14-24-10-4-3-5-11-24)13-19-22(26)20(28-23(15)19)12-16-6-8-18(27-2)9-7-16/h6-9,12-13,25H,3-5,10-11,14H2,1-2H3/b20-12-