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

Systemtic Name: 5-(4-chlorophenyl)-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Openeye Name: 5-(4-chlorophenyl)-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]oxazole CAS Name: 5-(4-chlorophenyl)-2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]oxazole IUPAC Name: 5-(4-chlorophenyl)-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-oxazole Traditional Name: 5-(4-chlorophenyl)-2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]oxazole Formula: C20H20ClN4O3+ MolecularWeight: 399.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC=C(O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/c21-16-3-1-15(2-4-16)19-13-22-20(28-19)14-23-9-11-24(12-10-23)17-5-7-18(8-6-17)25(26)27/h1-8,13H,9-12,14H2/p+1