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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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