(2Z)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-3-oxidanylidene-2-[(E)-3-phenylprop-2-enylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-[(E)-3-phenylprop-2-enylidene]-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3/c24-19-12-11-17-21(25)20(10-6-9-16-7-2-1-3-8-16)26-22(17)18(19)15-23-13-4-5-14-23/h1-3,6-12,24H,4-5,13-15H2/b9-6+,20-10-