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

Systemtic Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(o-tolyl)-1,2,4-oxadiazole CAS Name: 5-[(2S,4R)-4-methoxy-2-pyrrolidin-1-iumyl]-3-(2-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(2-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[(2S,4R)-4-methoxypyrrolidin-1-ium-2-yl]-3-(o-tolyl)-1,2,4-oxadiazole Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)C3CC(C[NH2+]3)OC

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)[C@@H]3C[C@H](C[NH2+]3)OC

InChI

InChI=1S/C14H17N3O2/c1-9-5-3-4-6-11(9)13-16-14(19-17-13)12-7-10(18-2)8-15-12/h3-6,10,12,15H,7-8H2,1-2H3/p+1/t10-,12+/m1/s1