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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1C2=NOC(=N2)C[NH+]3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2/c1-26-19-10-6-5-9-18(19)21-22-20(27-23-21)16-25-13-11-24(12-14-25)15-17-7-3-2-4-8-17/h2-10H,11-16H2,1H3/p+1