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

Systemtic Name: (E)-[2-(furan-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: (E)-[2-(2-furyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: (E)-[2-(2-furanyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: (E)-[2-(furan-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: (E)-[2-(2-furyl)-4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C21H23N3O5 MolecularWeight: 397.42442

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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=CO4

Isomeric SMILES

C1COCC[NH+]1CCCN2C(/C(=C(/C3=CC=NC=C3)\[O-])/C(=O)C2=O)C4=CC=CO4

InChI

InChI=1S/C21H23N3O5/c25-19(15-4-6-22-7-5-15)17-18(16-3-1-12-29-16)24(21(27)20(17)26)9-2-8-23-10-13-28-14-11-23/h1,3-7,12,18,25H,2,8-11,13-14H2/b19-17+