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

Systemtic Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-pyridin-4-yl-methanolate Openeye Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate CAS Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]-pyridin-4-ylmethanolate IUPAC Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-pyridin-4-ylmethanolate Traditional Name: [1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-phenyl-pyrrolidin-3-ylidene]-(4-pyridyl)methanolate Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3/c27-20(17-7-9-23-10-8-17)18-19(16-5-2-1-3-6-16)26(22(29)21(18)28)13-4-12-25-14-11-24-15-25/h1-3,5-11,14-15,19H,4,12-13H2,(H,27,28)