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

Systemtic Name: (2Z)-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-2-[(4-phenylphenyl)methylene]-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-2-[(4-phenylphenyl)methylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(4-phenylbenzylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C26H23NO3 MolecularWeight: 397.46572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C5=CC=CC=C5)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=C(C=C4)C5=CC=CC=C5)/C3=O)[O-]

InChI

InChI=1S/C26H23NO3/c28-23-13-12-21-25(29)24(30-26(21)22(23)17-27-14-4-5-15-27)16-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-13,16,28H,4-5,14-15,17H2/b24-16-