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

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

Isomeric SMILES

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

InChI

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