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

Systemtic Name: (2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-fluorophenyl)-[4-(4-nitrobenzyl)piperazin-4-ium-1-yl]methanone Formula: C18H19FN3O3+ MolecularWeight: 344.360163

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C18H18FN3O3/c19-17-4-2-1-3-16(17)18(23)21-11-9-20(10-12-21)13-14-5-7-15(8-6-14)22(24)25/h1-8H,9-13H2/p+1