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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

Isomeric SMILES

C1=CC(=CN=C1)C2C(=C(C3=CC=NC=C3)[O-])C(=O)C(=O)N2CCC[N+]4=CNC=C4

InChI

InChI=1S/C21H19N5O3/c27-19(15-4-7-22-8-5-15)17-18(16-3-1-6-23-13-16)26(21(29)20(17)28)11-2-10-25-12-9-24-14-25/h1,3-9,12-14,18H,2,10-11H2,(H,27,28)