1-[(2-fluorophenyl)methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(3-nitro-2-pyridyl)piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-(3-nitro-2-pyridinyl)piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(3-nitropyridin-2-yl)piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(3-nitro-2-pyridyl)piperazin-1-ium Formula: C16H18FN4O2+ MolecularWeight: 317.338123

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=C(C=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17FN4O2/c17-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)16-15(21(22)23)6-3-7-18-16/h1-7H,8-12H2/p+1