methyl 4-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-3-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidin-2-yl]benzoate

Systemtic Name: methyl 4-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-3-[oxidanyl(pyridin-4-yl)methylidene]pyrrolidin-2-yl]benzoate Openeye Name: methyl 4-[3-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-pyrrolidin-2-yl]benzoate CAS Name: 4-[3-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[hydroxy(pyridin-4-yl)methylidene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxopyrrolidin-2-yl]benzoate Traditional Name: 4-[3-[hydroxy(4-pyridyl)methylene]-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-pyrrolidin-2-yl]benzoic acid methyl ester Formula: C24H23N4O5+ MolecularWeight: 447.46322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O5/c1-33-24(32)18-5-3-16(4-6-18)20-19(21(29)17-7-9-25-10-8-17)22(30)23(31)28(20)13-2-12-27-14-11-26-15-27/h3-11,14-15,20H,2,12-13H2,1H3,(H,29,30)/p+1