2-[1-[(4-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(4-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(4-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(4-fluorophenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(4-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(4-fluorobenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C21H25FN7O+ MolecularWeight: 410.467903

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCNCC3CC(=O)N)CC4=CC=C(C=C4)F

InChI

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