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

Systemtic Name: N-(5-chloranyl-2-nitro-phenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-chloro-2-nitrophenyl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-chloro-2-nitrophenyl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(5-chloro-2-nitro-phenyl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C17H19ClN5O3+ MolecularWeight: 376.81746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN5O3/c18-13-4-5-15(23(25)26)14(11-13)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