N-(4-chloranyl-3-nitro-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C17H19ClN5O3+ MolecularWeight: 376.81746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC=N3

InChI

InChI=1S/C17H18ClN5O3/c18-14-5-4-13(11-15(14)23(25)26)20-17(24)12-21-7-9-22(10-8-21)16-3-1-2-6-19-16/h1-6,11H,7-10,12H2,(H,20,24)/p+1