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

Systemtic Name: 3-(4-methoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Openeye Name: 3-(4-methoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]isoxazole CAS Name: 3-(4-methoxyphenyl)-5-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]isoxazole IUPAC Name: 3-(4-methoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,2-oxazole Traditional Name: 3-(4-methoxyphenyl)-5-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]isoxazole Formula: C21H23N4O4+ MolecularWeight: 395.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-28-19-8-2-16(3-9-19)21-14-20(29-22-21)15-23-10-12-24(13-11-23)17-4-6-18(7-5-17)25(26)27/h2-9,14H,10-13,15H2,1H3/p+1