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

Systemtic Name: 2-(4-methylphenyl)-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Openeye Name: 2-(p-tolyl)-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole CAS Name: 2-(4-methylphenyl)-5-[(1S)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethyl]-1,3,4-oxadiazole IUPAC Name: 2-(4-methylphenyl)-5-[(1S)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethyl]-1,3,4-oxadiazole Traditional Name: 2-(p-tolyl)-5-[(1S)-1-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethyl]-1,3,4-oxadiazole Formula: C19H23N6O+ MolecularWeight: 351.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N6O/c1-14-4-6-16(7-5-14)18-23-22-17(26-18)15(2)24-10-12-25(13-11-24)19-20-8-3-9-21-19/h3-9,15H,10-13H2,1-2H3/p+1/t15-/m0/s1