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

Systemtic Name: [2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [2-(2,5-dimethoxyphenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [2-(2,5-dimethoxyphenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [2-(2,5-dimethoxyphenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N3O6/c1-31-17-3-4-19(32-2)18(15-17)21-20(22(28)16-5-7-25-8-6-16)23(29)24(30)27(21)10-9-26-11-13-33-14-12-26/h3-8,15,21,28H,9-14H2,1-2H3