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

Systemtic Name: (E)-[2-(3-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-bis(oxidanylidene)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate Openeye Name: (E)-[2-(3-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxo-pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate CAS Name: (E)-[2-(3-fluorophenyl)-1-[2-(4-morpholin-4-iumyl)ethyl]-4,5-dioxo-3-pyrrolidinylidene]-(4-methoxyphenyl)methanolate IUPAC Name: (E)-[2-(3-fluorophenyl)-1-(2-morpholin-4-ium-4-ylethyl)-4,5-dioxopyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate Traditional Name: (E)-[2-(3-fluorophenyl)-4,5-diketo-1-(2-morpholin-4-ium-4-ylethyl)pyrrolidin-3-ylidene]-(4-methoxyphenyl)methanolate Formula: C24H25FN2O5 MolecularWeight: 440.464103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC(=CC=C4)F)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC[NH+]3CCOCC3)C4=CC(=CC=C4)F)/[O-]

InChI

InChI=1S/C24H25FN2O5/c1-31-19-7-5-16(6-8-19)22(28)20-21(17-3-2-4-18(25)15-17)27(24(30)23(20)29)10-9-26-11-13-32-14-12-26/h2-8,15,21,28H,9-14H2,1H3/b22-20+