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

Systemtic Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-pyridin-4-yl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-(4-pyridyl)pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

C1=CN=CC=C1C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C21H19N5O3/c27-19(16-4-8-23-9-5-16)17-18(15-2-6-22-7-3-15)26(21(29)20(17)28)12-1-11-25-13-10-24-14-25/h2-10,13-14,18H,1,11-12H2,(H,27,28)