1-[(3S)-1-(3-fluoranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3S)-1-(3-fluoranyl-4-methoxy-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3S)-1-(3-fluoro-4-methoxy-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3S)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3S)-1-(3-fluoro-4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3S)-1-(3-fluoro-4-methoxy-phenyl)-2,5-diketo-pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C17H21FN3O4+ MolecularWeight: 350.364743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CC(C2=O)[NH+]3CCC(CC3)C(=O)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C[C@@H](C2=O)[NH+]3CCC(CC3)C(=O)N)F

InChI

InChI=1S/C17H20FN3O4/c1-25-14-3-2-11(8-12(14)18)21-15(22)9-13(17(21)24)20-6-4-10(5-7-20)16(19)23/h2-3,8,10,13H,4-7,9H2,1H3,(H2,19,23)/p+1/t13-/m0/s1