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

Systemtic Name: 2-[1-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(2-fluorophenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazin-1-iumyl]acetamide IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-fluorobenzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperazin-1-ium-2-yl]acetamide Formula: C20H23FN7O+ MolecularWeight: 396.441323

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1)CC(=O)N)(CC2=CC=CC=C2F)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1C[N+](C(CN1)CC(=O)N)(CC2=CC=CC=C2F)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C20H22FN7O/c21-17-4-2-1-3-15(17)13-28(10-8-23-12-16(28)11-18(22)29)19-5-6-25-20(26-19)27-9-7-24-14-27/h1-7,9,14,16,23H,8,10-13H2,(H-,22,29)/p+1