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

Systemtic Name: (E)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-bis(oxidanylidene)-2-pyridin-4-yl-pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Openeye Name: (E)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-(4-pyridyl)pyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate CAS Name: (E)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-pyridin-4-yl-3-pyrrolidinylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate IUPAC Name: (E)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-dioxo-2-pyridin-4-ylpyrrolidin-3-ylidene]-(5-methoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)methanolate Traditional Name: (E)-(5-carbomethoxy-2,4-dimethyl-1H-pyrrol-3-yl)-[1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4,5-diketo-2-(4-pyridyl)pyrrolidin-3-ylidene]methanolate Formula: C24H25N5O5 MolecularWeight: 463.4858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=C2C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=NC=C4)[O-])C)C(=O)OC

Isomeric SMILES

CC1=C(NC(=C1/C(=C\2/C(N(C(=O)C2=O)CCC[N+]3=CNC=C3)C4=CC=NC=C4)/[O-])C)C(=O)OC

InChI

InChI=1S/C24H25N5O5/c1-14-17(15(2)27-19(14)24(33)34-3)21(30)18-20(16-5-7-25-8-6-16)29(23(32)22(18)31)11-4-10-28-12-9-26-13-28/h5-9,12-13,20H,4,10-11H2,1-3H3,(H2,27,30,31,33)