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

Systemtic Name: (3-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (3-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-fluorophenyl)-[4-[(4-nitrophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-fluorophenyl)-[4-[(4-nitrophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (3-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=C3)F

Isomeric SMILES

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

InChI

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