4-(3-fluoranyl-4-methoxy-phenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione

Systemtic Name: 4-(3-fluoranyl-4-methoxy-phenyl)carbonyl-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-4-yl-pyrrolidine-2,3-dione Openeye Name: 4-(3-fluoro-4-methoxy-benzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-pyridyl)pyrrolidine-2,3-dione CAS Name: 4-[(3-fluoro-4-methoxyphenyl)-oxomethyl]-1-[2-(4-morpholin-4-iumyl)ethyl]-5-pyridin-4-ylpyrrolidine-2,3-dione IUPAC Name: 4-(3-fluoro-4-methoxybenzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-pyridin-4-ylpyrrolidine-2,3-dione Traditional Name: 4-(3-fluoro-4-methoxy-benzoyl)-1-(2-morpholin-4-ium-4-ylethyl)-5-(4-pyridyl)pyrrolidine-2,3-quinone Formula: C23H25FN3O5+ MolecularWeight: 442.460103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24FN3O5/c1-31-18-3-2-16(14-17(18)24)21(28)19-20(15-4-6-25-7-5-15)27(23(30)22(19)29)9-8-26-10-12-32-13-11-26/h2-7,14,19-20H,8-13H2,1H3/p+1