2-[1-[1-(4-fluorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[1-(4-fluorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[1-(4-fluorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[1-(4-fluorophenyl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[1-(4-fluorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[1-(4-fluorophenyl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C21H25FN7O+ MolecularWeight: 410.467903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)[N+]2(CCNCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

CC(C1=CC=C(C=C1)F)[N+]2(CCNCC2CC(=O)N)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C21H24FN7O/c1-15(16-2-4-17(22)5-3-16)29(11-9-24-13-18(29)12-19(23)30)20-6-7-26-21(27-20)28-10-8-25-14-28/h2-8,10,14-15,18,24H,9,11-13H2,1H3,(H-,23,30)/p+1