[1-(4-fluorophenyl)piperazin-1-ium-1-yl] 2-ethanoylpentanoate

Systemtic Name: [1-(4-fluorophenyl)piperazin-1-ium-1-yl] 2-ethanoylpentanoate Openeye Name: [1-(4-fluorophenyl)piperazin-1-ium-1-yl] 2-acetylpentanoate CAS Name: 2-acetylpentanoic acid [1-(4-fluorophenyl)-1-piperazin-1-iumyl] ester IUPAC Name: [1-(4-fluorophenyl)piperazin-1-ium-1-yl] 2-acetylpentanoate Traditional Name: 2-acetylvaleric acid [1-(4-fluorophenyl)piperazin-1-ium-1-yl] ester Formula: C17H24FN2O3+ MolecularWeight: 323.382463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C)C(=O)O[N+]1(CCNCC1)C2=CC=C(C=C2)F

Isomeric SMILES

CCCC(C(=O)C)C(=O)O[N+]1(CCNCC1)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H24FN2O3/c1-3-4-16(13(2)21)17(22)23-20(11-9-19-10-12-20)15-7-5-14(18)6-8-15/h5-8,16,19H,3-4,9-12H2,1-2H3/q+1