(E)-[2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: (E)-[2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: (E)-[2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: (E)-[2-(2,4-dimethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: (E)-[2-(2,4-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: (E)-[2-(2,4-dimethoxyphenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CC[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\[O-])/C(=O)C(=O)N2CC[NH+]4CCOCC4)OC

InChI

InChI=1S/C25H28N2O6/c1-31-18-8-9-19(20(16-18)32-2)22-21(23(28)17-6-4-3-5-7-17)24(29)25(30)27(22)11-10-26-12-14-33-15-13-26/h3-9,16,22,28H,10-15H2,1-2H3/b23-21+