1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(4-nitrophenyl)piperazin-1-ium Formula: C17H19FN3O2+ MolecularWeight: 316.350063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18FN3O2/c18-17-4-2-1-3-14(17)13-19-9-11-20(12-10-19)15-5-7-16(8-6-15)21(22)23/h1-8H,9-13H2/p+1