1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone

Systemtic Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone CAS Name: 1-[4-[(3-nitrophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-phenylphenoxy)ethanone IUPAC Name: 1-[4-[(3-nitrophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Traditional Name: 1-[4-(3-nitrobenzyl)piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Formula: C25H26N3O4+ MolecularWeight: 432.49164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4/c29-25(19-32-24-11-9-22(10-12-24)21-6-2-1-3-7-21)27-15-13-26(14-16-27)18-20-5-4-8-23(17-20)28(30)31/h1-12,17H,13-16,18-19H2/p+1