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

Systemtic Name: 3-(4-chlorophenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-(4-chlorophenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-(4-chlorophenyl)-5-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-chlorophenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(4-chlorophenyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C17H18ClN6O+ MolecularWeight: 357.81742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=NC=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)C3=CC=C(C=C3)Cl)C4=NC=CN=C4

InChI

InChI=1S/C17H17ClN6O/c18-14-3-1-13(2-4-14)17-21-16(25-22-17)12-23-7-9-24(10-8-23)15-11-19-5-6-20-15/h1-6,11H,7-10,12H2/p+1