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

Systemtic Name: (E)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: (E)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: (E)-[1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-pyridin-4-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: (E)-[1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: (E)-[4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CC=NC=C4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(/C(=C(/C3=CC=NC=C3)\[O-])/C(=O)C2=O)C4=CC=NC=C4

InChI

InChI=1S/C22H24N4O4/c27-20(17-4-8-24-9-5-17)18-19(16-2-6-23-7-3-16)26(22(29)21(18)28)11-1-10-25-12-14-30-15-13-25/h2-9,19,27H,1,10-15H2/b20-18+