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

Systemtic Name: 3-(3-fluoranyl-4-methyl-phenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazole Openeye Name: 3-(3-fluoro-4-methyl-phenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazole CAS Name: 3-(3-fluoro-4-methylphenyl)-5-[(3S)-3-piperidin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-(3-fluoro-4-methylphenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazole Traditional Name: 3-(3-fluoro-4-methyl-phenyl)-5-[(3S)-piperidin-1-ium-3-yl]-1,2,4-oxadiazole Formula: C14H17FN3O+ MolecularWeight: 262.302683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NOC(=N2)C3CCC[NH2+]C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NOC(=N2)[C@H]3CCC[NH2+]C3)F

InChI

InChI=1S/C14H16FN3O/c1-9-4-5-10(7-12(9)15)13-17-14(19-18-13)11-3-2-6-16-8-11/h4-5,7,11,16H,2-3,6,8H2,1H3/p+1/t11-/m0/s1