(4-fluoranyl-3-nitro-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-fluoranyl-3-nitro-phenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-fluoro-3-nitro-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-fluoro-3-nitrophenyl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-fluoro-3-nitrophenyl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-fluoro-3-nitro-phenyl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C17H18FN4O3+ MolecularWeight: 345.348223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17FN4O3/c18-15-2-1-14(11-16(15)22(24)25)17(23)21-9-7-20(8-10-21)12-13-3-5-19-6-4-13/h1-6,11H,7-10,12H2/p+1