(2Z)-2-(1-benzofuran-2-ylmethylidene)-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(2-benzofuranylmethylidene)-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(1-benzofuran-2-ylmethylidene)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(benzofuran-2-ylmethylene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC5=CC=CC=C5O4)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=CC=CC=C5O4)/C3=O)[O-]

InChI

InChI=1S/C22H19NO4/c24-18-8-7-16-21(25)20(12-15-11-14-5-1-2-6-19(14)26-15)27-22(16)17(18)13-23-9-3-4-10-23/h1-2,5-8,11-12,24H,3-4,9-10,13H2/b20-12-