2-(4-methylpiperazin-1-ium-1-yl)-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylpiperazin-1-ium-1-yl)-N-[4-nitro-2-(phenylcarbonyl)phenyl]ethanamide Openeye Name: N-(2-benzoyl-4-nitro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-benzoyl-4-nitrophenyl)-2-(4-methyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-benzoyl-4-nitrophenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-benzoyl-4-nitro-phenyl)-2-(4-methylpiperazin-1-ium-1-yl)acetamide Formula: C20H23N4O4+ MolecularWeight: 383.42102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4/c1-22-9-11-23(12-10-22)14-19(25)21-18-8-7-16(24(27)28)13-17(18)20(26)15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,21,25)/p+1