1-[(4-chlorophenyl)methyl]-4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium

Systemtic Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoranyl-2-nitro-phenyl)piperazin-1-ium Openeye Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium CAS Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-2-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(4-chlorophenyl)methyl]-4-(4-fluoro-2-nitrophenyl)piperazin-1-ium Traditional Name: 1-(4-chlorobenzyl)-4-(4-fluoro-2-nitro-phenyl)piperazin-1-ium Formula: C17H18ClFN3O2+ MolecularWeight: 350.795123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClFN3O2/c18-14-3-1-13(2-4-14)12-20-7-9-21(10-8-20)16-6-5-15(19)11-17(16)22(23)24/h1-6,11H,7-10,12H2/p+1