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

Systemtic Name: 5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole Openeye Name: 5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(m-tolyl)-1,2,4-oxadiazole CAS Name: 5-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole IUPAC Name: 5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole Traditional Name: 5-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-(m-tolyl)-1,2,4-oxadiazole Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-16-4-3-5-17(14-16)21-22-20(27-23-21)15-24-10-12-25(13-11-24)18-6-8-19(26-2)9-7-18/h3-9,14H,10-13,15H2,1-2H3/p+1