2-[1-[(3-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[(3-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[(3-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[(3-fluorophenyl)methyl]-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-[(3-fluorophenyl)methyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(3-fluorobenzyl)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H26FN6O+ MolecularWeight: 409.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC(=CC=C4)F

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CN=C2)[N+]3(CCCCC3CC(=O)N)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H25FN6O/c1-16-11-21(27-22(26-16)28-9-8-25-15-28)29(14-17-5-4-6-18(23)12-17)10-3-2-7-19(29)13-20(24)30/h4-6,8-9,11-12,15,19H,2-3,7,10,13-14H2,1H3,(H-,24,30)/p+1