3-(4-methylphenyl)-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylphenyl)-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole CAS Name: 3-(4-methylphenyl)-5-[[4-(3-methyl-2-quinoxalinyl)-1-piperazin-1-iumyl]methyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylphenyl)-5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-[[4-(3-methylquinoxalin-2-yl)piperazin-1-ium-1-yl]methyl]-3-(p-tolyl)-1,2,4-oxadiazole Formula: C23H25N6O+ MolecularWeight: 401.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5N=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=N2)C[NH+]3CCN(CC3)C4=NC5=CC=CC=C5N=C4C

InChI

InChI=1S/C23H24N6O/c1-16-7-9-18(10-8-16)22-26-21(30-27-22)15-28-11-13-29(14-12-28)23-17(2)24-19-5-3-4-6-20(19)25-23/h3-10H,11-15H2,1-2H3/p+1