1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Openeye Name: 1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone CAS Name: 1-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-3-nitrophenyl]ethanone IUPAC Name: 1-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-3-nitrophenyl]ethanone Traditional Name: 1-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-3-nitro-phenyl]ethanone Formula: C19H21FN3O3+ MolecularWeight: 358.386743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C19H20FN3O3/c1-14(24)15-6-7-18(19(12-15)23(25)26)22-10-8-21(9-11-22)13-16-4-2-3-5-17(16)20/h2-7,12H,8-11,13H2,1H3/p+1