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

Systemtic Name: [4,5-bis(oxidanylidene)-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [4,5-dioxo-1-(3-pyridin-1-iumylmethyl)-2-(3-pyridinyl)-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [4,5-dioxo-1-(pyridin-1-ium-3-ylmethyl)-2-pyridin-3-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [4,5-diketo-1-(pyridin-1-ium-3-ylmethyl)-2-(3-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C21H16N4O3 MolecularWeight: 372.37674

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC(=C[NH+]=C1)CN2C(C(=C(C3=CC=NC=C3)[O-])C(=O)C2=O)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4O3/c26-19(15-5-9-22-10-6-15)17-18(16-4-2-8-24-12-16)25(21(28)20(17)27)13-14-3-1-7-23-11-14/h1-12,18,26H,13H2