2-[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-(methylamino)-5-nitro-benzoyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-(methylamino)-5-nitrobenzoyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-(methylamino)-5-nitro-benzoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H26N5O4+ MolecularWeight: 412.46224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O4/c1-22-19-8-7-17(26(29)30)13-18(19)21(28)25-11-9-24(10-12-25)15-20(27)23-14-16-5-3-2-4-6-16/h2-8,13,22H,9-12,14-15H2,1H3,(H,23,27)/p+1