(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-7-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxidanylidene-7-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-6-olate Openeye Name: (2Z)-2-[(4-methoxyphenyl)methylene]-3-oxo-7-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]benzofuran-6-olate CAS Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7-[[(2R)-2-(3-pyridinyl)-1-piperidin-1-iumyl]methyl]-6-benzofuranolate IUPAC Name: (2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7-[[(2R)-2-pyridin-3-ylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-p-anisylidene-7-[[(2R)-2-(3-pyridyl)piperidin-1-ium-1-yl]methyl]coumaran-6-olate Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCCC4C5=CN=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)[O-])C[NH+]4CCCC[C@@H]4C5=CN=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-32-20-9-7-18(8-10-20)15-25-26(31)21-11-12-24(30)22(27(21)33-25)17-29-14-3-2-6-23(29)19-5-4-13-28-16-19/h4-5,7-13,15-16,23,30H,2-3,6,14,17H2,1H3/b25-15-/t23-/m1/s1