3-(3-fluoranyl-4-methyl-phenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Formula: C14H17FN3O2+ MolecularWeight: 278.302083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC(C[NH2+]3)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)[C@@H]3C[C@H](C[NH2+]3)OC)F

InChI

InChI=1S/C14H16FN3O2/c1-8-3-4-9(5-11(8)15)13-17-14(20-18-13)12-6-10(19-2)7-16-12/h3-5,10,12,16H,6-7H2,1-2H3/p+1/t10-,12+/m1/s1