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

Systemtic Name: [1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-1-(3-morpholin-4-ium-4-ylpropyl)-2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4/c27-20(16-4-7-23-8-5-16)18-19(17-3-1-6-24-15-17)26(22(29)21(18)28)10-2-9-25-11-13-30-14-12-25/h1,3-8,15,19,27H,2,9-14H2