3-(4-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)CC4=CC=CC=N4

InChI

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