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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=CO2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=CO2)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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