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

Systemtic Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Openeye Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole CAS Name: 2-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole IUPAC Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Traditional Name: 2-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole Formula: C18H19N4O3+ MolecularWeight: 339.36846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3O2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3/c23-22(24)15-7-5-14(6-8-15)21-11-9-20(10-12-21)13-18-19-16-3-1-2-4-17(16)25-18/h1-8H,9-13H2/p+1