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

Systemtic Name: (2Z)-4-methyl-3-oxidanylidene-2-(pyridin-3-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Openeye Name: (2Z)-4-methyl-3-oxo-2-(3-pyridylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)benzofuran-6-olate CAS Name: (2Z)-4-methyl-3-oxo-2-(3-pyridinylmethylidene)-7-(1-pyrrolidin-1-iumylmethyl)-6-benzofuranolate IUPAC Name: (2Z)-4-methyl-3-oxo-2-(pyridin-3-ylmethylidene)-7-(pyrrolidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate Traditional Name: (2Z)-3-keto-4-methyl-2-(3-pyridylmethylene)-7-(pyrrolidin-1-ium-1-ylmethyl)coumaran-6-olate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CN=CC=C3)O2)C[NH+]4CCCC4)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CN=CC=C3)/O2)C[NH+]4CCCC4)[O-]

InChI

InChI=1S/C20H20N2O3/c1-13-9-16(23)15(12-22-7-2-3-8-22)20-18(13)19(24)17(25-20)10-14-5-4-6-21-11-14/h4-6,9-11,23H,2-3,7-8,12H2,1H3/b17-10-