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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-octan-2-yl-piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-methylheptyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-1-octan-2-yl-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-1-octan-2-ylpiperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-methylheptyl)piperidin-1-ium-2-yl]acetamide Formula: C23H37N6O+ MolecularWeight: 413.57948

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[N+]1(CCCCC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3

Isomeric SMILES

CCCCCCC(C)[N+]1(CCCCC1CC(=O)N)C2=NC(=NC(=C2)C)N3C=CN=C3

InChI

InChI=1S/C23H36N6O/c1-4-5-6-7-10-19(3)29(14-9-8-11-20(29)16-21(24)30)22-15-18(2)26-23(27-22)28-13-12-25-17-28/h12-13,15,17,19-20H,4-11,14,16H2,1-3H3,(H-,24,30)/p+1