N-(2-chloranyl-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2-chloro-5-nitrophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C18H20ClN4O3+ MolecularWeight: 375.8294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O3/c19-16-7-6-15(23(25)26)12-17(16)20-18(24)13-21-8-10-22(11-9-21)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,20,24)/p+1