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

Systemtic Name: 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-methoxyphenyl)-5-[(4-pyrazin-2-ylpiperazin-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=CN=C4

Isomeric SMILES

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

InChI

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