(E)-(4-fluorophenyl)-[2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate

Systemtic Name: (E)-(4-fluorophenyl)-[2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]methanolate Openeye Name: (E)-(4-fluorophenyl)-[2-(5-methyl-2-furyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxo-pyrrolidin-3-ylidene]methanolate CAS Name: (E)-(4-fluorophenyl)-[2-(5-methyl-2-furanyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4,5-dioxo-3-pyrrolidinylidene]methanolate IUPAC Name: (E)-(4-fluorophenyl)-[2-(5-methylfuran-2-yl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate Traditional Name: (E)-[4,5-diketo-2-(5-methyl-2-furyl)-1-(3-morpholin-4-ium-4-ylpropyl)pyrrolidin-3-ylidene]-(4-fluorophenyl)methanolate Formula: C23H25FN2O5 MolecularWeight: 428.453403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C3=CC=C(C=C3)F)[O-])C(=O)C(=O)N2CCC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=C(O1)C2/C(=C(/C3=CC=C(C=C3)F)\[O-])/C(=O)C(=O)N2CCC[NH+]4CCOCC4

InChI

InChI=1S/C23H25FN2O5/c1-15-3-8-18(31-15)20-19(21(27)16-4-6-17(24)7-5-16)22(28)23(29)26(20)10-2-9-25-11-13-30-14-12-25/h3-8,20,27H,2,9-14H2,1H3/b21-19+