[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-nitro-phenyl)methanone

Systemtic Name: [4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Openeye Name: [4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-nitro-phenyl)methanone CAS Name: [4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazin-4-iumyl]-(4-methoxy-3-nitrophenyl)methanone IUPAC Name: [4-[(2-chloro-4-fluorophenyl)methyl]piperazin-4-ium-1-yl]-(4-methoxy-3-nitrophenyl)methanone Traditional Name: [4-(2-chloro-4-fluoro-benzyl)piperazin-4-ium-1-yl]-(4-methoxy-3-nitro-phenyl)methanone Formula: C19H20ClFN3O4+ MolecularWeight: 408.831203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClFN3O4/c1-28-18-5-3-13(10-17(18)24(26)27)19(25)23-8-6-22(7-9-23)12-14-2-4-15(21)11-16(14)20/h2-5,10-11H,6-9,12H2,1H3/p+1