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

Systemtic Name: 3-(4-methylphenyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Openeye Name: 3-(p-tolyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Traditional Name: 3-(p-tolyl)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-oxadiazole Formula: C13H16N3O+ MolecularWeight: 230.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C3CCC[NH2+]3

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O/c1-9-4-6-10(7-5-9)12-15-13(17-16-12)11-3-2-8-14-11/h4-7,11,14H,2-3,8H2,1H3/p+1/t11-/m0/s1