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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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