3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Formula: C18H21N6O2+ MolecularWeight: 353.39834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H20N6O2/c1-25-15-5-3-14(4-6-15)17-21-16(26-22-17)13-23-9-11-24(12-10-23)18-19-7-2-8-20-18/h2-8H,9-13H2,1H3/p+1