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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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