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

Systemtic Name: (2Z)-2-(1H-indol-3-ylmethylidene)-3-oxidanylidene-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-2-(1H-indol-3-ylmethylene)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-2-(1H-indol-3-ylmethylidene)-3-oxo-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-2-(1H-indol-3-ylmethylidene)-3-oxo-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-2-(1H-indol-3-ylmethylene)-3-keto-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CNC5=CC=CC=C54)C3=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CNC5=CC=CC=C54)/C3=O)[O-]

InChI

InChI=1S/C22H20N2O3/c25-19-8-7-16-21(26)20(11-14-12-23-18-6-2-1-5-15(14)18)27-22(16)17(19)13-24-9-3-4-10-24/h1-2,5-8,11-12,23,25H,3-4,9-10,13H2/b20-11-