2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(6-methylheptan-2-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(6-methylheptan-2-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(1,5-dimethylhexyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-1-(6-methylheptan-2-yl)-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2-imidazol-1-ylpyrimidin-4-yl)-1-(6-methylheptan-2-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-(1,5-dimethylhexyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H35N6O+ MolecularWeight: 399.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O/c1-17(2)7-6-8-18(3)28(14-5-4-9-19(28)15-20(23)29)21-10-11-25-22(26-21)27-13-12-24-16-27/h10-13,16-19H,4-9,14-15H2,1-3H3,(H-,23,29)/p+1