[4-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C20H24N3O5+ MolecularWeight: 386.42166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COC2=CC=C(C=C2)[N+](=O)[O-])O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O5/c24-18(15-28-19-8-6-17(7-9-19)23(26)27)14-21-10-12-22(13-11-21)20(25)16-4-2-1-3-5-16/h1-9,18,24H,10-15H2/p+1/t18-/m1/s1