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

Systemtic Name: 3-[(2-chlorophenyl)methyl]-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-[(2-chlorophenyl)methyl]-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-[(2-chlorophenyl)methyl]-5-[[4-(2-pyrazinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-[(2-chlorophenyl)methyl]-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-(2-chlorobenzyl)-5-[(4-pyrazin-2-ylpiperazin-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C18H20ClN6O+ MolecularWeight: 371.844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=NO2)CC3=CC=CC=C3Cl)C4=NC=CN=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=NO2)CC3=CC=CC=C3Cl)C4=NC=CN=C4

InChI

InChI=1S/C18H19ClN6O/c19-15-4-2-1-3-14(15)11-16-22-18(26-23-16)13-24-7-9-25(10-8-24)17-12-20-5-6-21-17/h1-6,12H,7-11,13H2/p+1