bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: bis(2-methoxyethyl)-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-3-oxo-2-(4-pyridylmethylene)benzofuran-7-yl]methyl-bis(2-methoxyethyl)ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-7-benzofuranyl]methyl-bis(2-methoxyethyl)ammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-(pyridin-4-ylmethylidene)-1-benzofuran-7-yl]methyl-bis(2-methoxyethyl)azanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(4-pyridylmethylene)coumaran-7-yl]methyl-bis(2-methoxyethyl)ammonium Formula: C21H25N2O5+ MolecularWeight: 385.4336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CCOC)CC1=C(C=CC2=C1OC(=CC3=CC=NC=C3)C2=O)O

Isomeric SMILES

COCC[NH+](CCOC)CC1=C(C=CC2=C1O/C(=C\C3=CC=NC=C3)/C2=O)O

InChI

InChI=1S/C21H24N2O5/c1-26-11-9-23(10-12-27-2)14-17-18(24)4-3-16-20(25)19(28-21(16)17)13-15-5-7-22-8-6-15/h3-8,13,24H,9-12,14H2,1-2H3/p+1/b19-13-