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

Systemtic Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Openeye Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole CAS Name: 4-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-2-thiophen-2-yloxazole IUPAC Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole Traditional Name: 4-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-2-(2-thienyl)oxazole Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=COC(=N2)C3=CC=CS3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c23-22(24)16-5-3-15(4-6-16)21-9-7-20(8-10-21)12-14-13-25-18(19-14)17-2-1-11-26-17/h1-6,11,13H,7-10,12H2/p+1