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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N6O/c1-4-6-9-19(5-2)16-29(13-8-7-10-20(29)15-21(24)30)22-14-18(3)26-23(27-22)28-12-11-25-17-28/h11-12,14,17,19-20H,4-10,13,15-16H2,1-3H3,(H-,24,30)/p+1