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

Systemtic Name: 2-[1-heptan-2-yl-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-(1-methylhexyl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-heptan-2-yl-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-heptan-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-methylhexyl)piperidin-1-ium-2-yl]acetamide Formula: C22H35N6O+ MolecularWeight: 399.5529

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O/c1-4-5-6-9-18(3)28(13-8-7-10-19(28)15-20(23)29)21-14-17(2)25-22(26-21)27-12-11-24-16-27/h11-12,14,16,18-19H,4-10,13,15H2,1-3H3,(H-,23,29)/p+1