[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(2-nitrophenyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(2-nitrophenyl)methanone Formula: C18H18ClFN3O3+ MolecularWeight: 378.805223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=C(C=C2)F)Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H17ClFN3O3/c19-16-11-14(20)6-5-13(16)12-21-7-9-22(10-8-21)18(24)15-3-1-2-4-17(15)23(25)26/h1-6,11H,7-10,12H2/p+1