2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-(2-chloro-4-nitrophenyl)-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-(2-chloro-4-nitrophenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-(2-chloro-4-nitro-phenyl)piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Formula: C18H19ClFN4O3+ MolecularWeight: 393.819863

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClFN4O3/c19-16-11-15(24(26)27)4-5-17(16)23-8-6-22(7-9-23)12-18(25)21-14-3-1-2-13(20)10-14/h1-5,10-11H,6-9,12H2,(H,21,25)/p+1