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

Systemtic Name: 2-[1-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(2-fluorophenyl)methyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(2-fluorophenyl)methyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-fluorobenzyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C21H24FN6O+ MolecularWeight: 395.453263

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C(C1)CC(=O)N)(CC2=CC=CC=C2F)C3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1CC[N+](C(C1)CC(=O)N)(CC2=CC=CC=C2F)C3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C21H23FN6O/c22-18-7-2-1-5-16(18)14-28(12-4-3-6-17(28)13-19(23)29)20-8-9-25-21(26-20)27-11-10-24-15-27/h1-2,5,7-11,15,17H,3-4,6,12-14H2,(H-,23,29)/p+1