2-[1-[3-ethyl-1,4-bis(oxidanyl)pentan-3-yl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide

Systemtic Name: 2-[1-[3-ethyl-1,4-bis(oxidanyl)pentan-3-yl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]ethanamide Openeye Name: 2-[1-[1-ethyl-2-hydroxy-1-(2-hydroxyethyl)propyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide CAS Name: 2-[1-(3-ethyl-1,4-dihydroxypentan-3-yl)-1-[2-(1-imidazolyl)-6-methyl-4-pyrimidinyl]-2-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(3-ethyl-1,4-dihydroxypentan-3-yl)-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Traditional Name: 2-[1-[1-ethyl-2-hydroxy-1-(2-hydroxyethyl)propyl]-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)piperidin-1-ium-2-yl]acetamide Formula: C22H35N6O3+ MolecularWeight: 431.5517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N6O3/c1-4-22(8-12-29,17(3)30)28(11-6-5-7-18(28)14-19(23)31)20-13-16(2)25-21(26-20)27-10-9-24-15-27/h9-10,13,15,17-18,29-30H,4-8,11-12,14H2,1-3H3,(H-,23,31)/p+1