(2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate

Systemtic Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-4-methyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Openeye Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-4-methyl-3-oxo-2-(4-pyridylmethylene)benzofuran-6-olate CAS Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-6-benzofuranolate IUPAC Name: (2Z)-7-[[bis(2-methoxyethyl)azaniumyl]methyl]-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-6-olate Traditional Name: (2Z)-7-[[bis(2-methoxyethyl)ammonio]methyl]-3-keto-4-methyl-2-(4-pyridylmethylene)coumaran-6-olate Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=NC=C3)O2)C[NH+](CCOC)CCOC)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)/C(=C/C3=CC=NC=C3)/O2)C[NH+](CCOC)CCOC)[O-]

InChI

InChI=1S/C22H26N2O5/c1-15-12-18(25)17(14-24(8-10-27-2)9-11-28-3)22-20(15)21(26)19(29-22)13-16-4-6-23-7-5-16/h4-7,12-13,25H,8-11,14H2,1-3H3/b19-13-