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

Systemtic Name: [1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-2-(3-pyridinyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-2-pyridin-3-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CN=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CN=CC=C4

InChI

InChI=1S/C21H22N4O4/c26-19(15-3-6-22-7-4-15)17-18(16-2-1-5-23-14-16)25(21(28)20(17)27)9-8-24-10-12-29-13-11-24/h1-7,14,18,26H,8-13H2