5-(4-methylphenyl)-3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole

Systemtic Name: 5-(4-methylphenyl)-3-[[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 3-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-5-(p-tolyl)-1,2,4-oxadiazole CAS Name: 5-(4-methylphenyl)-3-[[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-(4-methylphenyl)-3-[[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 3-[[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]methyl]-5-(p-tolyl)-1,2,4-oxadiazole Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)CN3CCN(CC3)C4=[NH+]C(=NC(=C4)C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)CN3CCN(CC3)C4=[NH+]C(=NC(=C4)C)C(C)C

InChI

InChI=1S/C22H28N6O/c1-15(2)21-23-17(4)13-20(25-21)28-11-9-27(10-12-28)14-19-24-22(29-26-19)18-7-5-16(3)6-8-18/h5-8,13,15H,9-12,14H2,1-4H3/p+1