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

Systemtic Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-oxidanylhexan-2-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[1-(hydroxymethyl)pentyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(1-hydroxyhexan-2-yl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(1-hydroxyhexan-2-yl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-methylolpentyl)piperidin-1-ium-2-yl]acetamide Formula: C21H33N6O2+ MolecularWeight: 401.52572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N6O2/c1-3-4-7-18(14-28)27(11-6-5-8-17(27)13-19(22)29)20-12-16(2)24-21(25-20)26-10-9-23-15-26/h9-10,12,15,17-18,28H,3-8,11,13-14H2,1-2H3,(H-,22,29)/p+1