3-(1-benzofuran-2-ylcarbonyl)-2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanylidene-2H-pyrrol-4-olate Openeye Name: 3-(benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(2,5-dimethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-5-oxo-2H-pyrrol-4-olate IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-oxo-2H-pyrrol-4-olate Traditional Name: 4-(benzofuran-2-carbonyl)-5-(2,5-dimethoxyphenyl)-2-keto-1-(2-morpholin-4-ium-4-ylethyl)-3-pyrrolin-3-olate Formula: C27H28N2O7 MolecularWeight: 492.52042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CC[NH+]3CCOCC3)[O-])C(=O)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C27H28N2O7/c1-33-18-7-8-21(34-2)19(16-18)24-23(25(30)22-15-17-5-3-4-6-20(17)36-22)26(31)27(32)29(24)10-9-28-11-13-35-14-12-28/h3-8,15-16,24,31H,9-14H2,1-2H3