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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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