(2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate

Systemtic Name: (2Z)-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-3-oxo-2-(4-pyridylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-2-(4-pyridylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3/c22-16-4-3-14-18(23)17(11-13-5-7-20-8-6-13)24-19(14)15(16)12-21-9-1-2-10-21/h3-8,11,22H,1-2,9-10,12H2/b17-11-